Atoms doi: 10.3390/atoms12030017
Authors: Spiros Alexiou
The present paper discusses a number of topics relevant to line broadening in the presence of periodic oscillatory fields. Specifically, we discuss the applicablility of the expression usually employed to compute the autocorrelation function, the dressing, accounting for random phases, neglecting fine structure and numerical issues associated with stiffnes.
]]>Atoms doi: 10.3390/atoms12030016
Authors: Xiangdong Li Frank B. Rosmej Zhanbin Chen
Based on the detailed term accounting approach, the relationship between extreme ultraviolet conversion efficiency and plasma conditions, which range from 5 to 200 eV for plasma temperature and from 4.63 × 1017 to 4.63 × 1022 cm−3 for plasma density, is studied for lithium plasmas through spectral simulations involving very extended atomic configurations, including a benchmark set of autoionizing states. The theoretical limit of the EUV conversion efficiency and its dependence on sustained plasma time are given for different plasma densities. The present study provides the necessary understanding of EUV formation from the perspective of atomic physics and also provides useful knowledge for improving EUV conversion efficiency with different technologies.
]]>Atoms doi: 10.3390/atoms12030015
Authors: Gordon R. M. Robb Josh G. Walker Gian-Luca Oppo Thorsten Ackemann
We show that a Bose–Einstein Condensate illuminated by a far off-resonant optical pump field and its retroreflection from a feedback mirror can produce stable, localised structures known as optomechanical droplets. We show that these droplets could be used to measure the acceleration of a BEC via continuous monitoring of the position of the droplet via the optical intensity distribution.
]]>Atoms doi: 10.3390/atoms12030014
Authors: Tobias Bothwell
Optical lattice clocks combine the accuracy and stability required for next-generation frequency standards. At the heart of these clocks are carefully engineered optical lattices tuned to a wavelength where the differential AC Stark shift between ground and excited states vanishes—the so called ‘magic’ wavelength. To date, only alkaline-earth-like atoms utilizing clock transitions with total electronic angular momentum J=0 have successfully realized these magic wavelength optical lattices at the level necessary for state-of-the-art clock operation. In this article, we discuss two additional types of clock transitions utilizing states with J≠0, leveraging hyperfine structure to satisfy the necessary requirements for controlling lattice-induced light shifts. We propose realizing (i) clock transitions between same-parity clock states with total angular momentum F=0 and (ii) M1/E2 clock transitions between a state with F=0 and a second state with J=1/2, mF=0. We present atomic species which fulfill these requirements before giving a detailed discussion of both manganese and copper, demonstrating how these transitions provide the necessary suppression of fine structure-induced vector and tensor lattice light shifts for clock operations. Such realization of alternative optical lattice clocks promises to provide a rich variety of new atomic species for neutral atom clock operation, with applications from many-body physics to searches for new physics.
]]>Atoms doi: 10.3390/atoms12030013
Authors: Abid Husain Haris Kunari Tauheed Ahmad
Previously reported atomic data (spectral lines, wavelengths, energy levels, and transition probabilities) were collected and systematically analyzed for Cs VI. The present theoretical analysis was supported by extensive calculations made for Cs VI with a pseudo-relativistic Hartree–Fock (HFR) method together with the superposition of configuration interactions implemented in Cowan’s codes. In this work, all previously reported energy levels and their (allowed) transition assignments were confirmed. A critically evaluated set of optimized energy levels with their uncertainties, observed and Ritz wavelengths along with their uncertainties, and theoretical transition probabilities with their estimated uncertainties were presented in the compilation. In addition to this, we determined the radiative transition parameters for several forbidden lines within the ground configuration 5s25p2 of Cs VI.
]]>Atoms doi: 10.3390/atoms12030012
Authors: Elmar Träbert
Atoms and ions remain in some long-lived excited levels for much longer than in typical “normal” levels, but not forever. Various cases of this so-called metastability that occur in multiply or even highly charged ions are discussed in a tutorial review, as well as examples of atomic lifetime measurements on such levels, their intentions, and some present and future applications.
]]>Atoms doi: 10.3390/atoms12020011
Authors: Shilpa Shajan Kandasamy Thirunavukkarsu Vijayanand Chandrasekaran Venkatesan S. Thimmakondu Krishnan Thirumoorthy
The singlet, triplet, and quintet electronic states of the FeC4H22+ system are theoretically explored using quantum chemical methods, and 39 isomers are identified in the singlet electronic state and 4 isomers in both triplet and quintet electronic states. A molecule with a planar tetracoordinate iron (ptFe) is found on the potential energy surface of singlet and triplet electronic states. The bonding features of ptFe in the singlet electronic state are analyzed with natural bond orbital (NBO) analysis, adaptive natural density partitioning (AdNDP), and molecular orbital analysis. The resultant data delineate that the ptFe is stabilized through electron delocalization in the ptFe system.
]]>Atoms doi: 10.3390/atoms12020010
Authors: Nuno A. Silva Vicente Rocha Tiago D. Ferreira
Extreme learning machines explore nonlinear random projections to perform computing tasks on high-dimensional output spaces. Since training only occurs at the output layer, the approach has the potential to speed up the training process and the capacity to turn any physical system into a computing platform. Yet, requiring strong nonlinear dynamics, optical solutions operating at fast processing rates and low power can be hard to achieve with conventional nonlinear optical materials. In this context, this manuscript explores the possibility of using atomic gases in near-resonant conditions to implement an optical extreme learning machine leveraging their enhanced nonlinear optical properties. Our results suggest that these systems have the potential not only to work as an optical extreme learning machine but also to perform these computations at the few-photon level, paving opportunities for energy-efficient computing solutions.
]]>Atoms doi: 10.3390/atoms12020009
Authors: Klaas Bijlsma Lamberto Oltra Emiel de Wit Luc Assink Ismanuel Rabadán Luis Méndez Ronnie Hoekstra
Over a wide and partly overlapping energy range, the single-electron capture cross-sections for collisions of metastable Sn2+(5s5p Po3) (Sn2+∗) ions with H2 molecules were measured (0.1–10 keV) and calculated (0.3–1000 keV). The semi-classical calculations use a close-coupling method on a basis of electronic wavefunctions of the (SnH2)2+ system. The experimental cross-sections were extracted from double collisions in a crossed-beam experiment of Sn3+ with H2. The measured capture cross-sections for Sn2+∗ show good agreement with the calculations between 2 and 10 keV, but increase toward lower energies, whereas the calculations decrease. Additional Landau–Zener calculations were performed and show that the inclusion of spin-orbit splitting cannot explain the large cross-sections at the lowest energies which we now assume to be likely due to vibrational effects in the molecular hydrogen target.
]]>Atoms doi: 10.3390/atoms12020008
Authors: Edmund G. Myers
Significant advances in Penning trap measurements of atomic masses and mass ratios of the proton, deuteron, triton, helion, and alpha-particle have occurred in the last five years. These include a measurement of the mass of the deuteron against 12C with 8.5 × 10−12 fractional uncertainty; resolution of vibrational levels of H2+ as mass and the application of a simultaneous measurement technique to the H2+/D+ cyclotron frequency ratio, yielding a deuteron/proton mass ratio at 5 × 10−12; new measurements of HD+/3He+, HD+/T+, and T+/3He+ leading to a tritium beta-decay Q-value with an uncertainty of 22 meV, and atomic masses of the helion and triton at 13 × 10−12; and a new measurement of the mass of the alpha-particle against 12C at 12 × 10−12. Some of these results are in strong disagreement with previous values in the literature. Their impact in determining a precise proton/electron mass ratio and electron atomic mass from spectroscopy of the HD+ molecular ion is also discussed.
]]>Atoms doi: 10.3390/atoms12020007
Authors: Jakub Wardak Tiberius Georgescu Giulio Gasbarri Alessio Belenchia Hendrik Ulbricht
Matter wave interferometry with increasingly larger masses could pave the way to understanding the nature of wavefunction collapse, the quantum to classical transition, or even how an object in a spatial superposition interacts with its gravitational field. In order to improve upon the current mass record, it is necessary to move into the nanoparticle regime. In this paper, we provide a design for a nanoparticle Talbot–Lau matter wave interferometer that circumvents the practical challenges of previously proposed designs. We present numerical estimates of the expected fringe patterns that such an interferometer would produce, considering all major sources of decoherence. We discuss the practical challenges involved in building such an experiment, as well as some preliminary experimental results to illustrate the proposed measurement scheme. We show that such a design is suitable for seeing interference fringes with 106 amu SiO2 particles and that this design can be extended to even 108 amu particles by using flight times below the typical Talbot time of the system.
]]>Atoms doi: 10.3390/atoms12020006
Authors: Jozo J. Jureta Bratislav P. Marinković Lorenzo Avaldi
The lowest single and doubly excited autoionizing states of neon have been studied using a non-monochromatic electron beam and a high-resolution electrostatic analyzer at incident electron energies from 43.37 to 202 (±0.4) eV at three ejection angles, 40°, 90° and 130°. The 2s2p63s(3,1S) and 2s2p63p(3,1P) as well as the 2p43s3p doubly excited states have been observed and their energy determined. The influence of the PCI effect in the energy region of the 2s2p63s(3,1S) states has been investigated. New features in the ejected electron spectra in the low kinetic energy region 3–20 eV at 202 eV incident energy have been observed and assigned.
]]>Atoms doi: 10.3390/atoms12010005
Authors: Martin Kinden Karlsen Jonas R. Persson
Recent advancements in studying long chains of unstable nuclei have revitalised interest in investigating the hyperfine anomaly. Hyperfine anomaly is particularly relevant for determining nuclear magnetic dipole moments using hyperfine structures where it limits the accuracy. This research paper focuses on the calculation of the differential Breit-Rosenthal effect for the 6p23P1,2, 1D2 and 6p7s3P1 states in Pb, utilising the multi-configurational Dirac-Hartree-Fock code, GRASP2018. The findings show that the differential Breit-Rosenthal effect is typically less than 0.1/fm2, which is often much smaller than the Bohr-Weisskopf effect. The differential Breit-Rosenthal effect for the 6p23P2 state is one order of magnitude smaller than the rest, which is why this state seems to be insensible to the hyperfine anomaly.
]]>Atoms doi: 10.3390/atoms12010004
Authors: Tu-Nan Chang Te-Kuei Fang Rui Sun Chensheng Wu Xiang Gao
We present an extension of our study of the energy shift of the atomic emissions subject to charged-neutral outside dense plasma following the good agreement between the experimental measurements and our recent theoretical estimates for the α and β emission lines of a number of H-like and He-like ions. In particular, we are able to further demonstrate that the plasma-induced transition energy shift could indeed be interpolated by the simple quasi-hydrogenic picture based on the application of the Debye–Hückel (DH) approximation for the n=3 to n=2 transitions of the He-like ions. Our theoretically estimated redshifts of those emissions may offer the impetus for additional experimental measurement to facilitate the diagnostic efforts in the determination of the temperature and density of the dense plasma.
]]>Atoms doi: 10.3390/atoms12010003
Authors: Mikhail G. Kozlov Yuriy A. Demidov Mikhail Y. Kaygorodov Elizaveta V. Tryapitsyna
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for electronic correlations in heavy atoms is a very difficult computational problem, and an optimization of the basis sets can reduce computational costs and increase final accuracy. Here, we propose a simple differential ansatz to form virtual orbitals from the Dirac–Fock orbitals of the core and valence electrons. We use basis sets with such orbitals to calculate different properties in Cs including hyperfine structure constants and QED corrections to the valence energies and to the E1 transition amplitudes.
]]>Atoms doi: 10.3390/atoms12010002
Authors: Nilanjan Mukherjee Abhijit Bhattacharyya Kalyan Chakrabarti
We report here an R-matrix study of electron collision with the BeO+ molecular ion in its X 2Π ground state and at a single bond length, namely its equilibrium Re=2.7023 a0. Firstly, a good quality configuration interaction calculation is performed for the BeO+ ground and excited states. We then perform scattering calculations using the R-matrix method to yield the cross-section for electronic excitation to several of its excited states. The electron impact dissociation of BeO+ through the two lowest dissociation channels, namely the Be+(2Sg) + O(3Pg) and Be+(2Sg) + O(1Dg) dissociation channels, is estimated using the electronic excitation cross-sections. Rotational excitation cross-sections are provided for the j(=0)→j′(=1,2,3) rotational transitions. Our calculations also yield e + BeO+ neutral Feshbach resonances and their widths which we present systematically categorized by their symmetry and quantum defects, and BeO-bound Rydberg states at the BeO+ equilibrium. The full potential energy curves for the resonant states, their widths and the bound Rydberg states, whose details we propose to give in a subsequent work, can be the starting point of other collision calculations.
]]>Atoms doi: 10.3390/atoms12010001
Authors: Motoshi Goto Gen Motojima Ryuichi Sakamoto Bernard Pégourié Akinobu Matsuyama Tetsutarou Oishi Tomoko Kawate Yasuko Kawamoto
We have recently incorporated the occupation probability formalism (OPF) in the simulation model [C. Stehlé and S. Jacquemot, Astron. Astrophys. 271, 348 (1993)] to have a smooth transition from discrete lines to continuum spectrum in the wavelength range near the Balmer series limit. We have analyzed spectra measured for the hydrogen pellet ablation cloud in the Large Helical Device with the revised model, and have found that the electron density in the ablation cloud has a close correlation with the electron temperature of the background plasma. This type of correlation is first confirmed in the present analysis and should give a new insight in the simulation studies of pellet ablation for the magnetically confined fusion plasma.
]]>Atoms doi: 10.3390/atoms11120158
Authors: Alok Kumar Singh Jha Mayank Dimri Dishu Dawra Man Mohan
The study of atomic spectroscopy and collision processes in a dense plasma environment has gained a considerable interest in the past few years due to its several applications in various branches of physics. The multiconfiguration Dirac-Fock (MCDF) method and relativistic configuration interaction (RCI) technique incorporating the uniform electron gas model (UEGM) and analytical plasma screening (APS) potentials have been employed for characterizing the interactions among the charged particles in plasma. The bound and continuum state wavefunctions are determined using the aforementioned potentials within a relativistic Dirac-Coulomb atomic structure framework. The present approach is applied for the calculation of electronic structures, radiative properties, electron impact excitation cross sections and photoionization cross sections of many electron systems confined in a plasma environment. The present study not only extends our knowledge of the plasma-screening effect but also opens the door for the modelling and diagnostics of astrophysical and laboratory plasmas.
]]>Atoms doi: 10.3390/atoms11120157
Authors: Yuri A. Dyakov Sergey O. Adamson Gennady V. Golubkov Igor I. Morozov Danil R. Nigmatullin Oleg A. Olkhov Pao K. Wang Maxim G. Golubkov
Criegee intermediates, which are the products of the ozonolysis of alkenes, play a key role in many chemical and physical processes in the atmosphere. Their reactions with other atmospheric compounds are responsible for the formation of hydroxyl, methyl, hydrogen radicals, nitric and sulfuric acids, and others. Methane is an active greenhouse gas whose concentration has increased rapidly in the last several decades. In this work, we consider the interaction between these two important atmospheric compounds. We choose the three simple Criegee intermediate (CI) molecules: formaldehyde oxide (CH2OO), acetaldehyde oxide (CH3CHOO), and acetone oxide ((CH3)2COO). Some reactions between methane and these Cis have been studied earlier as possible pathways for deactivating methane as well as a source of methanol formation due to molecular collisions in the atmosphere. In the present study, we extend the consideration to the case when an intermediate energetically stable complex is formed after collision. We found that this complex could easily decompose to form an OH radical and another unstable fragment, which can quickly dissociate into CH3 radicals, atomic hydrogen, acetone, acetaldehyde, propaldehyde, methyl alcohol, water, and others, depending on the type of CI being reacted with. These compounds can actively interact with other atmospheric components and change their physical and chemical properties. In addition, CI with a methyl substituent is shown to have increased energy in transition states and minima, resulting in slower reaction rates.
]]>Atoms doi: 10.3390/atoms11120156
Authors: Himadri S. Chakraborty Hari R. Varma
Atomic, molecular, and optical (AMO) physics is a vastly important sub-discipline [...]
]]>Atoms doi: 10.3390/atoms11120155
Authors: Abdul Hasib Rahimyar Des Hill James Glimm Snezhana Abarzhi
In this work, we theoretically and numerically investigate Rayleigh–Taylor dynamics with constant acceleration. On the side of theory, we employ the group theory approach to directly link the governing equations to the momentum model, and to precisely derive the buoyancy and drag parameters for the bubble and spike in the linear, nonlinear, and mixing regimes. On the side of simulations, we analyze numerical data on Rayleigh–Taylor mixing by applying independent self-similar processes associated with the growth of the bubble amplitude and with the bubble merger. Based on the obtained results, we reveal the constituents governing Rayleigh–Taylor dynamics in the linear, nonlinear, and mixing regimes. We outline the implications of our considerations for experiments in plasmas, including inertial confinement fusion.
]]>Atoms doi: 10.3390/atoms11120154
Authors: Beata Ziaja Michal Stransky Konrad J. Kapcia Ichiro Inoue
In this communication, we describe the application of Boltzmann kinetic equations for modeling massive electronic excitation in a silicon nanocrystal film after its irradiation with intense femtosecond hard X-ray pulses. This analysis was inspired by an experiment recently performed at the X-ray free-electron laser facility SACLA, which measured a significant reduction in atomic scattering factors triggered by an X-ray pulse of the intensity ∼1019 W/cm2, occurring on a timescale comparable with the X-ray pulse duration (6 fs full width at half maximum). We show that a Boltzmann kinetic equation solver can accurately follow the details of the electronic excitation in silicon atoms caused by such a hard X-ray pulse, yielding predictions in very good agreement with the experimental data.
]]>Atoms doi: 10.3390/atoms11120153
Authors: Ahlem Benmerabet Abdelaziz Bouhadiba Youghourta Belhocine Seyfeddine Rahali Najoua Sbei Mahamadou Seydou Ihsene Boucheriha Imane Omeiri Ibtissem Meriem Assaba
In this investigation, the potential use of native β-cyclodextrin (β-CD) and hydroxypropyl-β-cyclodextrin (HP-β-CD) as encapsulating agents for trichloroethylene (TCE) was assessed. Various quantum chemical parameters, including HOMO, LUMO, and HOMO–LUMO gap, were calculated. The docking process was examined by considering different initial configurations. The complexation energies were calculated at the molecular level using DFT/BLYP-D4 and PBEh-3c calculations to gain insight into TCE encapsulation within the β-CD and HP-β-CD cavities. We used the independent gradient model (IGM) and extended charge decomposition analysis (ECDA) approaches to examine non-covalent interactions and charge transfer within TCE@β-CD and TCE@HP-β-CD complexes. The calculated thermodynamic data and complexation energies exhibited negative values for both considered complexes, indicating a favorable complexation process. Weak Van der Waals intermolecular interactions were the main driving forces in stabilizing the formed complex. Additionally, Monte Carlo simulations were conducted for a better understanding of the inclusion process. Our results provide evidence for the use of β-CD and HP-β-CD as suitable macrocyclic hosts for complexing trichloroethylene.
]]>Atoms doi: 10.3390/atoms11120152
Authors: Momar Talla Gning Ibrahima Sakho
Photoionization of neutral chlorine atom is investigated in this paper in the framework of the screening constant per unit nuclear charge (SCUNC) method. Resonance energies, quantum defects and effective charges of the 3s23p4 (3P2,1,0)ns and 3s23p4 (3P1,0)nd Rydberg series originating from both the 2P03/2 ground state and the 2P01/2 excited state of chlorine atom are reported. The present study believed to be the first theoretical investigation is compared with the recent experimental measurements (Yang et al., Astrophys. J. 810:132, 2015). Good agreements are obtained between theory and experiments. New SCUNC data are tabulated as useful references for interpreting astrophysical spectra from neutral atomic chlorine.
]]>Atoms doi: 10.3390/atoms11120151
Authors: Robert D. DuBois Károly Tőkési
Although the comparison of fully differential ionization data for particle and antiparticle impact provides the ultimate tests of theoretical models, only very low antiparticle beam intensities are available. Hence, few experiments of this type have been performed. Therefore, available experimentally obtained single and double differential cross-sections, which are much easier to obtain, are compared in order to demonstrate differences when only the projectile mass or charge (+1 or −1) is changed. Included in the comparison are cross-sections calculated for positron and electron impact using a three-particle classical trajectory Monte Carlo method. The calculated cross-sections provide independent information about the ejected electron and the scattered projectile contributions, plus information about the impact parameters, all as functions of the collision kinematics. From these comparisons, suggestions as to where future investigations are both feasible and useful are provided.
]]>Atoms doi: 10.3390/atoms11120150
Authors: Jozsef Seres Enikoe Seres Carles Serrat Thanh-Hung Dinh Noboru Hasegawa Masahiko Ishino Masaharu Nishikino Shinichi Namba
While generating high harmonics in long media of helium gas, at certain laser intensities and chirp, the spectral shift and split of the harmonic lines were experimentally observed, sometimes exceeding one harmonic order. Beyond reporting these results, numerical simulations were performed to understand the phenomenon. A 3D propagation model was solved under the strong field approximation. According to the simulations, the distortion of the laser beam profile during propagation and the consequently accused change in the conditions of phase matching are responsible for the observations. The observed phenomena can be an excellent tool to produce tunable narrow band harmonic sources covering a broad range around 13.5 nm for spectroscopy and for seeding X-ray lasers, and to understand non-desired detuning of the seed wavelength.
]]>Atoms doi: 10.3390/atoms11120149
Authors: Michele A. Quinto Nicolás J. Esponda Maria F. Rojas Roberto D. Rivarola Juan M. Monti
Electron removal (target ionization and/or projectile electron loss) in neutral–atom collisions is theoretically studied for the impact of H0, He0 and He+ beams on noble gases (He, Ne and Ar). These reactions are investigated theoretically within the Continuum Distorted Wave-Eikonal Initial State model. New features have been included in the theoretical model: (i) a scaled projectile charge depending on its velocity and charge, (ii) a dynamic projectile-effective-charge depending on the momentum transfer, and (iii) a dynamic target-effective-charge depending on the kinematics of the emitted electron. The energy and angular spectra of emitted electrons from the target and from the projectile are calculated and compared with the available experimental data. Also, the influence of each one of the corrections on the resulting spectra will be studied.
]]>Atoms doi: 10.3390/atoms11110148
Authors: Alexander Ryabtsev
Using a sliding spark and a 6.65 m normal incidence vacuum spectrograph, the third spectrum of platinum was analyzed. The transitions involving high-lying levels were studied. A total of 241 Pt III lines of the transitions from the levels of the 5d76p + 5d66s6p configurations in the region 728–2062 Å were classified, increasing the number of known Pt III lines to more than 1000. Ninety-one energy levels belonging mostly to the 5d66s6p configuration were added to Pt III. The odd Pt III levels were theoretically interpreted by means of multiconfiguration Dirak–Fock calculations and a least-squares fit of the calculated to the observed levels in the framework of the orthogonal parameters technique.
]]>Atoms doi: 10.3390/atoms11110147
Authors: Tamara A. Guarda Francisco Navarrete Raúl O. Barrachina
Vortices are structures known in our daily lives and observed in a wide variety of systems, from cosmic to microscopic scales. Relatively recent studies showed that vortices could also appear in simple quantum systems. For instance, they were observed experimentally and theoretically as isolated zeros in the differential cross section in atomic ionization processes by the impact of charged particles. In this work, we show that the appearance of these quantum vortices as point structures was not due to any intrinsic property of them, but to the use of restrictive geometries in their visualization. In particular, we show that by studying the fully differential cross section for hydrogen ionization by positron impact, these vortex points are actually a manifestation of a more complex and hitherto unexplored structure, a 3D “vortex surface”.
]]>Atoms doi: 10.3390/atoms11110146
Authors: Frédérick Petitdemange Frank B. Rosmej
The generally accepted pathway to Local Thermodynamic Equilibrium (LTE) in atomic physics, where collision rates need to be much larger than radiative decay rates, is extended to complex autoionizing states. It is demonstrated that the inclusion of the non-radiative decay (autoionization rate) on the same footing, like radiative decay, i.e., the LTE criterion ne,crit×C≫A+Γ (ne,crit is the critical electron density above which LTE holds, C is the collisional rate coefficient, and A is the radiative decay rate) is inappropriate for estimating the related critical density. An analysis invoking simultaneously different atomic ionization stages identifies the LTE criteria as a theoretical limiting case, which provides orders of magnitude too high critical densities for almost all practical applications. We introduced a new criterion, where the critical densities are estimated from the non-autoionizing capture states rather than from the autoionizing states. The new criterion is more appropriate for complex autoionizing manifolds and provides order of magnitude reduced critical densities. Detailed numerical calculations are carried out for Na-like states of aluminum, where autoionization to the Ne-like ground and excited state occurrences are in excellent agreement with the new criterion. In addition, a complex multi-electron atomic-level structure and electron–electron correlation are identified as simplifying features rather than aggravating ones for the concept of thermalization.
]]>Atoms doi: 10.3390/atoms11110145
Authors: Károly Tőkési István Rajta Gyula Nagy Réka Judit Bereczky
The transmission of energetic, 1 MeV proton microbeam through a single, cylindrical shaped, macrometer-sized polytetrafluoroethylene capillary was studied experimentally. The capillary axis was tilted with respect to the axis of the incident ion beam. The tilting, the aspect ratio of the capillary and the small beam divergence disabled the geometrical transmission of the beam through the target. The intensity, energy, deflection and charge state of the transmitted beam were investigated. We found that the pure guided transmission of a MeV/amu energy ion beam is observable. We clearly identified three completely different stages during the guiding process according to the measured energy distribution of transmitted particles. At the beginning the transmission intensity was low and only inelastic contributions with energy lower than 1 MeV were found in the spectrum. Later, in the second stage, the elastic peak appeared and became more and more significant. Finally, when the stable transmission evolved, only the elastic peak was present and the inelastic area was totally absent as a direct consequence of the ion guiding and as a result of the charged particle interaction with a charged inner surface of the insulator capillary.
]]>Atoms doi: 10.3390/atoms11110144
Authors: Sebastian Otranto
During the past five decades, classical dynamics have been systematically used to gain insight on collision processes between charged particles and photons with atomic and molecular targets. These methods have proved to be efficient for systems in which numerical intensive quantum mechanical methods are not yet tractable. During the years, reaction cross sections for charge exchange and ionization have been scrutinized at the total and differential levels, leading to a clear understanding of the benefits and limitations inherent in a classical description. In this work, we present a review of the classical trajectory Monte Carlo method, its current status and the perspectives that can be envisaged for the near future.
]]>Atoms doi: 10.3390/atoms11110143
Authors: Luis Fernando Cárdenas-Castillo Arturo Camacho-Guardian
The authors wish to make the following corrections to their paper [...]
]]>Atoms doi: 10.3390/atoms11110142
Authors: Shivam Gupta Tetsutarou Oishi Izumi Murakami
In this work, a krypton gas impurity seeding experiment was conducted in a Large Helical Device. Emission lines from the Na-like Kr ion in the extreme ultraviolet wavelength region, such as 22.00 nm, 17.89 nm, 16.51 nm, 15.99 nm, and 14.08 nm, respective to 2p63p(2P1/2o)−2p63s(2S1/2), 2p63p(2P3/2o)−2p63s(2S1/2), 2p63d(2D3/2)−2p63p(2P3/2o), 2p63d(2D5/2)−2p63p(2P3/2o), and 2p63d(2D3/2)−2p63p(2P1/2o) transitions, are observed. In order to generate a theoretical synthetic spectrum, an extensive calculation concerning the excitation of the Kr25+ ion through electron impact was performed for the development of a suitable plasma model. For this, the relativistic multiconfiguration Dirac–Hartree–Fock method was employed along with its extension to the relativistic configuration interaction method to compute the relativistic bound-state wave functions and excitation energies of the fine structure levels using the General Relativistic Atomic Structure Package-2018. In addition, another set of calculations was carried out utilizing the relativistic many-body perturbation theory and relativistic configuration interaction methods integrated within the Flexible Atomic Code. To investigate the reliability of our findings, the results of excitation energies, transition probabilities, and weighted oscillator strengths of different dipole-allowed transitions obtained from these different methods are presented and compared with the available data. Further, the detailed electron impact excitation cross-sections and their respective rate coefficients are obtained for various fine structure resolved transitions using the fully relativistic distorted wave method. Rate coefficients, calculated using the Flexible Atomic Code for population and de-population kinetic processes, are integrated into the collisional-radiative plasma model to generate a theoretical spectrum. Further, the emission lines observed from the Kr25+ ion in the impurity seeding experiment were compared with the present plasma model spectrum, demonstrating a noteworthy overall agreement between the measurement and the theoretical synthetic spectrum.
]]>Atoms doi: 10.3390/atoms11110141
Authors: Spiros Alexiou
It has been recently suggested that white dwarf diagnostics could be in error and should be revised because of the effect of the magnetic field on spiralling trajectories of the plasma particles (mainly electrons), predicting a dramatic width increase for high densities of Balmer-β and especially for the δ and ϵ lines. These suggestions overlook important physics and are shown here to be incorrect. Specifically, exact calculations are carried out that can assess the importance of various physical effects neglected in the erroneous analysis mentioned. The net result of accounting for spiralling electron trajectories is typically a small to modest reduction in the line widths, at least for the parameters considered.
]]>Atoms doi: 10.3390/atoms11110140
Authors: Eric B. Norman
The nucleosynthesis of chemical elements has been established to be the result of a variety of different types of nuclear reactions in stars. Under the extreme temperatures and densities encountered in such environments, nuclear isomers can be populated and thus complicate our understanding of these processes. In this paper, I have chosen to discuss five cases that illustrate how nuclear isomers can play important roles in the nucleosynthesis of chemical elements.
]]>Atoms doi: 10.3390/atoms11110139
Authors: Jun-Ying Wang Wen-Xue Huang Yu-Lin Tian Yong-Sheng Wang Yue Wang Wan-Li Zhang Yuan-Jun Huang Zai-Guo Gan Hu-Shan Xu
To precisely measure atomic masses and select neutron-deficient isotopes produced by fusion evaporation reactions, an MRTOF-MS (multi-reflection time-of-flight mass spectrometer) at the SHANS (Spectrometer for Heavy Atom and Nuclear Structure) is being developed. One of the key parts, an RF ion trap system with the aim to provide brilliant ion pulses with a low energy spread and narrow pulse width for ion preparation prior to injection into the MRTOF mass analyzer, has been constructed and commissioned offline successfully. The principle, construction details and test results are reported. Pulsed beams of 39K1+, 85,87Rb1+ and 133Cs1+ ions have been tested and the amplitudes and frequencies of the RF signals, DC voltages, helium gas pressure and time parameters have been scanned. The corresponding time spreads have reached 0.252 µs, 0.394 µs and 0.450 µs, respectively.
]]>Atoms doi: 10.3390/atoms11110138
Authors: Meloottayil V. Vinitha Pragya Bhatt Cholakka P. Safvan Sarita Vig Umesh R. Kadhane
The dissociation of multiply charged C10H8 isomers produced in fast proton collisions (velocities between 1.41 and 2.4 a.u.) is discussed in terms of their fundamental molecular dynamics, in particular the processes that produce different carbon clusters in such a collision. This aspect is assessed with the help of a multi-hit analysis of daughter ions detected in coincidence with the elimination of H+ and CHn+ (n = 0 to 3). The elimination of H+/C+ is found to be significantly different from CH3+ loss. The loss of CH3+ proceeds through a cascade of momentum-correlated dissociations with the formation of heavy ions such as C9H5+, C9H52+ and C7H3+. The structure of such large fragment ions is predicted with the help of their calculated ground state electronic energies and the multi-hit time-of-flight (ToF) correlation between the second and third hit fragments if detected. Furthermore, we report experimentally the super-dehydrogenation of naphthalene and azulene targets, with evidence of complete dehydrogenation in a single collision.
]]>Atoms doi: 10.3390/atoms11100137
Authors: S. Suriyaprasanth Heechol Choi Dhanoj Gupta
We have calculated the electron and positron impact ionization of a set of molecules, SF6−nHn(n=0−6), SCln(n=1−6), SFn−1Cl(n=1−6) and SF5X(X=CN,CFO), for which there are much fewer data in the literature. We have optimized the targets, and their electric polarizability is calculated along with their orbital binding and kinetic energies within the Hartree–Fock approximation that serve as input to the Binary Encounter Bethe (BEB) model for both electron and positron ionization. Most of the targets are investigated for the first time, apart from SF6, for which we compared our data with various experimental and theoretical data, giving us a good comparison.
]]>Atoms doi: 10.3390/atoms11100136
Authors: Anand K. Bhatia
The excitation cross-sections of the 3D and 4D states of atomic hydrogen at low incident energies (from 0.90 to 5.00 Ry) were calculated using the variational polarized orbital method, which is also called the hybrid theory. Up to 12 partial waves (L = 2 to 13) were used to obtain converged cross-sections at high energies. The importance of the long-range forces near the threshold region and the behavior of the cross-sections in that region are indicated. The S, P, and D cross-sections are needed if the total excitation cross-sections are measured in addition to the elastic cross-sections. These cross-sections are also useful if the cascade from the D to the P to the S states is considered in the diagnostics of solar and astrophysical observations.
]]>Atoms doi: 10.3390/atoms11100135
Authors: David Bailie Steven White Rachael Irwin Cormac Hyland Richard Warwick Brendan Kettle Nicole Breslin Simon N. Bland David J. Chapman Stuart P. D. Mangles Rory A. Baggot Eleanor R. Tubman David Riley
We have carried out a series of experiments to measure the Cl K-absorption edge for shock-compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about 10 eV have been measured. We have compared the measured shifts to analytical modelling using the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature based on hydrodynamic modelling. Modelling of the edge position using density functional theory molecular dynamics (DFT-MD) was also used and it was found that good agreement was only achieved when the DFT simulations assumed conditions of lower temperature and slightly higher density than indicated by hydrodynamic simulations using a tabular equation of state.
]]>Atoms doi: 10.3390/atoms11100134
Authors: Peter Schury Yuta Ito Toshitaka Niwase Michiharu Wada
The atomic masses of isotopes of elements beyond fermium, which can presently only be produced online via fusion-evaporation reactions, have until recently been determined only from α decay chains reaching nuclides with known atomic masses. Especially in the case of lower-yield nuclides, for which the sufficiently detailed nuclear spectroscopy required to fully determine the nuclear structure is not possible, such indirect mass determinations may suffer systematic errors. For many superheavy nuclides, their decay chains end in spontaneous fission or in β-decay prior to reaching nuclides of known mass. To address this dearth of accurate atomic masses, we have developed a multi-reflection time-of-flight mass spectrograph that can make use of decay-correlations to accurately and precisely determine atomic masses for the very low-yield superheavy nuclides.
]]>Atoms doi: 10.3390/atoms11100133
Authors: Andrey Yu. Letunov Valery S. Lisitsa
The present review is dedicated to the problem of an array of transitions between highly-excited atomic levels. Hydrogen atoms and hydrogen-like ions in plasmas are considered here. The presented methods focus on calculation of spectral line shapes. Fast and simple methods of universal ionic profile calculation for the Hnα (Δn=1) and Hnβ (Δn=2) spectral lines are demonstrated. The universal dipole matrix elements formulas for the Hnα and Hnβ transitions are presented. A fast method for spectral line shape calculations in the presence of an external magnetic field using the formulas for universal dipole matrix elements is proposed. This approach accounts for the Doppler and Stark–Zeeman broadening mechanisms. Ion dynamics effects are treated via the frequency fluctuation model. The accuracy of the presented model is discussed. A comparison of this approach with experimental data and the results of molecular dynamics simulation is demonstrated. The kinetics equation for the populations of highly-excited ionic states is solved in the parabolic representation. The population source associated with dielectronic recombination is considered.
]]>Atoms doi: 10.3390/atoms11100132
Authors: Sergey O. Adamson Daria D. Kharlampidi Anastasia S. Shtyrkova Stanislav Y. Umanskii Yuri A. Dyakov Igor I. Morozov Maxim G. Golubkov
The reaction of benzene with fluorine atoms may be of interest as a source of phenyl and ipso-fluorocyclohexadienyl radicals or as a method for fluorobenzene gas phase synthesis. The structures and electronic energies of the equilibrium configurations and transition complexes of the C6H6F system are calculated in the density functional approximation. It was found that the interaction of benzene with atomic fluorine can proceed via two channels: hydrogen abstraction with the phenyl radical formation, and hydrogen substitution with the ipso-fluorocyclohexadienyl radical as primary product. Then the dissociation of the ipso-fluorocyclohexadienyl radical leads to creation of fluorobenzene and atomic hydrogen. The initiation of this reaction requires the activation energy near 27 kcal/mol, which indicates the low probability of this process, occurring at temperatures close to the standard (298 K). The calculations of the fluorocyclohexadienyl isomers and their cations also indicate that the formation of fluorobenzene as a product of secondary reactions is unlikely. The conclusions are confirmed by experimental data.
]]>Atoms doi: 10.3390/atoms11100131
Authors: Claudio D. Archubi Nestor R. Arista
We present the results obtained using a novel quantum approach to describe the interaction of charged particles with the astrophysical type of plasmas, based on the dielectric plasma-wave-packet model (PWPM) together with a full description of statistical effects on energy exchange processes. We use this formulation to calculate the energy loss moments for protons, positrons, and electrons traversing different stellar plasmas on a wide range of projectile velocities and plasma densities and temperatures. We consider special quantum restrictions for the cases of positrons and electrons, including relativistic corrections for high-velocity particles. We analyze and compare the results for different cases of main interest, from dilute solar-corona plasma to cases of increasing densities in the interior of the sun and in the dense regions of giant stars.
]]>Atoms doi: 10.3390/atoms11100130
Authors: John Sheil Oscar Versolato Vivek Bakshi Howard Scott
We review the results of the 1st Extreme Ultraviolet (EUV) Light Sources Code Comparison Workshop. The goal of this workshop was to provide a platform for specialists in EUV light source plasma modeling to benchmark and validate their numerical codes using well-defined case studies. Detailed consideration of a plethora of atomic collisional and radiative processes is required for modeling EUV light source plasmas. Eight institutions spanning four countries contributed data to the workshop. Two topics were addressed, namely (i) the atomic kinetics and radiative properties of tin plasmas under EUV-generating conditions and (ii) laser absorption in a fully ionized, one-dimensional hydrogen plasma. In this paper, we summarize the key findings of the workshop and outline plans for future iterations of the code comparison activity.
]]>Atoms doi: 10.3390/atoms11100129
Authors: William S. Porter Daniel W. Bardayan Maxime Brodeur Daniel P. Burdette Jason A. Clark Aaron T. Gallant Alicen M. Houff James J. Kolata Biying Liu Patrick D. O’Malley Caleb Quick Fabio Rivero Guy Savard Adrian A. Valverde Regan Zite
Precise measurements of nuclear beta decays provide a unique insight into the Standard Model due to their connection to the electroweak interaction. These decays help constrain the unitarity or non-unitarity of the Cabibbo–Kobayashi–Maskawa (CKM) quark mixing matrix, and can uniquely probe the existence of exotic scalar or tensor currents. Of these decays, superallowed mixed mirror transitions have been the least well-studied, in part due to the absence of data on their Fermi to Gamow-Teller mixing ratios (ρ). At the Nuclear Science Laboratory (NSL) at the University of Notre Dame, the Superallowed Transition Beta-Neutrino Decay Ion Coincidence Trap (St. Benedict) is being constructed to determine the ρ for various mirror decays via a measurement of the beta–neutrino angular correlation parameter (aβν) to a relative precision of 0.5%. In this work, we present an overview of the St. Benedict facility and the impact it will have on various Beyond the Standard Model studies, including an expanded sensitivity study of ρ for various mirror nuclei accessible to the facility. A feasibility evaluation is also presented that indicates the measurement goals for many mirror nuclei, which are currently attainable in a week of radioactive beam delivery at the NSL.
]]>Atoms doi: 10.3390/atoms11100128
Authors: Ibtissem Hannachi Roland Stamm
Periodic electric fields are found in many kinds of plasmas and result from the presence of collective fields amplified by plasma instabilities, or they are created by external sources such as microwave generators or lasers. The spectral lines emitted by atoms or ions in a plasma exhibit a frequency profile characteristic of plasma conditions, such as the temperature and density of charged particles. The fingerprints of periodic electric fields appear clearly on the line shape for a large range of frequencies and magnitudes of the oscillating electric field. Satellite structures appear near to multiples of the oscillation frequency and redistribute the intensity of the line far from the line center. The modeling of the simultaneous effects of the plasma microfield and of a periodic electric field has been active since the seventies, but it remains difficult to be conducted accurately since the quantum emitter is submitted to several time-dependent electric fields, each with their own characteristic time. We describe here a numerical approach which couples a simulation of the motion of charged plasma particles with an integration of the emitter Schrödinger equation. Resulting hydrogen line shapes are presented for different plasmas and periodic fields encountered in laboratory and astrophysical plasmas.
]]>Atoms doi: 10.3390/atoms11100127
Authors: Matthew Redshaw Ramesh Bhandari Nadeesha Gamage Mehedi Hasan Madhawa Horana Gamage Dakota K. Keblbeck Savannah Limarenko Dilanka Perera
Precise and accurate atomic mass data provide crucial information for applications in a wide range of fields in physics and beyond, including astrophysics, nuclear structure, particle and neutrino physics, fundamental symmetries, chemistry, and metrology. The most precise atomic mass measurements are performed on charged particles confined in a Penning trap. Here, we describe the development, status, and outlook of CHIP-TRAP: the Central Michigan University high-precision Penning trap. CHIP-TRAP aims to perform ultra-high precision (∼1 part in 1011 fractional precision) mass measurements on stable and long-lived isotopes produced with external ion sources and transported to the Penning traps. Along the way, ions of a particular m/q are selected with a multi-reflection time-of-flight mass separator (MR-TOF-MS), with further filtering performed in a cylindrical capture trap before the ions are transported to a pair of hyperbolic measurement traps. In this paper, we report on the design and status of CHIP-TRAP and present results from the commissioning of the ion sources, MR-TOF-MS, and capture trap. We also provide an outlook on the continued development and commissioning of CHIP-TRAP.
]]>Atoms doi: 10.3390/atoms11100126
Authors: Scott E. Campbell Georg Bollen Alec Hamaker Walter Kretzer Ryan Ringle Stefan Schwarz
The single-ion Penning trap (SIPT) at the Low-Energy Beam Ion Trapping Facility has been developed to perform precision Penning trap mass measurements of single ions, ideal for the study of exotic nuclei available only at low rates at the Facility for Rare Isotope Beams (FRIB). Single-ion signals are very weak—especially if the ion is singly charged—and the few meaningful ion signals must be disentangled from an often larger noise background. A useful approach for simulating Fourier transform ion cyclotron resonance signals is outlined and shown to be equivalent to the established yet computationally intense method. Applications of supervised machine learning algorithms for classifying background signals are discussed, and their accuracies are shown to be ≈65% for the weakest signals of interest to SIPT. Additionally, a deep neural network capable of accurately predicting important characteristics of the ions observed by their image charge signal is discussed. Signal classification on an experimental noise dataset was shown to have a false-positive classification rate of 10.5%, and 3.5% following additional filtering. The application of the deep neural network to an experimental 85Rb+ dataset is presented, suggesting that SIPT is sensitive to single-ion signals. Lastly, the implications for future experiments are discussed.
]]>Atoms doi: 10.3390/atoms11100125
Authors: Nishita M. Hosea Jobin Jose Hari R. Varma Pranawa C. Deshmukh Steven T. Manson
A procedure to obtain relativistic expressions for photoionisation angular distribution parameters using the helicity formulation is discussed for open-shell atoms. Electric dipole and quadrupole transition matrix elements were considered in the present work, to study the photoionisation dynamics of the 3s electron of the sodium atom in the vicinity of the dipole Cooper minimum. We studied dipole–quadrupole interference effects on the photoelectron angular distribution in the region of the dipole Cooper minimum. Interference with quadrupole transitions was found to alter the photoelectron angular distribution, even at rather low photon energies. The initial ground and final ionised state discrete wavefunctions of the atom were obtained in the present work using GRASP, and we employed RATIP with discrete wavefunctions, to construct continuum wavefunctions and to calculate transition amplitudes, total cross-sections and angular distribution asymmetry parameters.
]]>Atoms doi: 10.3390/atoms11100124
Authors: Alexander S. Zaytsev Darya S. Zaytseva Sergey A. Zaytsev Lorenzo U. Ancarani Ochbadrakh Chuluunbaatar Konstantin A. Kouzakov Yury V. Popov
The parabolic quasi-Sturmian approach, recently introduced for the calculation of ion–atom ionizing collisions, is adapted and applied here to the single ionization of helium induced by an intermediate-energy proton impact. Within the method, the ionization amplitude is represented as the sum of the products of the basis amplitudes associated with the asymptotic behavior of the continuum states of the two noninteracting hydrogenic subsystems (e−,He+) and (p+,He+). The p−e interaction is treated as a perturbation in the Lippmann–Schwinger-type (LS) equation for the three-body system (e−,He+,p+). This LS equation is solved numerically using separable expansions for the proton–electron potential. We examine the convergence behavior of the transition amplitude expansion as the number of terms in the representation of the p−e interaction is increased and find that, for some kinematic regimes, the convergence is poor. This difficulty, which is absent for a higher proton energy impact, is solved by varying the momentum of the auxiliary proton plane wave introduced into the basis function. Fully differential cross-sections are calculated and compared with experimental data for 75 keV protons and the results obtained with the 3C model.
]]>Atoms doi: 10.3390/atoms11100123
Authors: Victor Varentsov
This study is a further development of our “Proposal of a new double-nozzle technique for in-gas-jet laser resonance ionization spectroscopy” paper published in the journal Atoms earlier this year. Here, we propose equipping the double-nozzle technique with the RF-only funnel and RF-buncher placed in a gas-jet chamber at a 70 mm distance downstream of the double-nozzle exit. It allows for highly effective extraction into vacuum heavy ion beams, produced in two-steps laser resonance ionization in the argon supersonic jet. We explored the operation of this new full version of the double-nozzle technique through detailed gas dynamic and Monte Carlo trajectory simulations, with the results presented and discussed. In particular, our calculations showed that more than 80% of all nobelium-254 neutral atoms, extracted by argon flow from the gas-stopping cell, can then be extracted into vacuum in a form of pulsed ion beam having low transverse and longitudinal emittance.
]]>Atoms doi: 10.3390/atoms11090122
Authors: Károly Tőkési Saleh Alassaf
For the control of fusion reactors, we need to accurately know all the possible reactions and collisional cross sections. Although large-scale trials have been performed over the last decades to obtain this data, many basic atomic and molecular cross section data are missing and the accuracy of the available cross sections need to be checked. Using the available measured cross sections and theoretical predictions of hydrogen atom ionization by proton impact, critical analysis of the data is presented. Moreover, we also present our recent classical results based on the standard classical trajectory Monte Carlo (CTMC) and quasi-classical trajectory Monte Carlo (C-QCTMC) models. According to our model calculations and comparison with the experimental data, recom-mended cross sections for ionization of hydrogen were presented in a wide range of pro-jectile impact energies. We found that, while in the low energy region, the experimental cross sections are very close to the C-QCTMC results, at higher energies, they are close to the results of our standard CTMC results.
]]>Atoms doi: 10.3390/atoms11090121
Authors: Mohamed Farjallah Dibyendu Sardar Bimalendu Deb Hamid Berriche
In this paper, we extensively study the electronic structure, interactions, and dynamics of the (MgCs)+ molecular ion. The exchanges between the alkaline atom and the low-energy cationic alkaline earths, which are important in the field of cold and ultracold quantum chemistry, are studied. We use an ab initio approach based on the formalism of non-empirical pseudo-potential for Mg2+ and Cs+ cores, large Gaussian basis sets, and full-valence configuration interaction. In this context, the (MgCs)+ cation is treated as an effective two-electron system. Adiabatic potential energy curves and their spectroscopic constants for the ground and the first 20 excited states of 1,3Σ+ symmetries are determined. Furthermore, we identify the avoided crossings between the electronic states of 1,3Σ+ symmetries. These crossings are related to the charge transfer process between the two ionic limits, Mg/Cs+ and Mg+/Cs. Therefore, vibrational-level spacings and the transition and permanent dipole moments are presented and analyzed. Using the produced potential energy data, the ground-state scattering wave functions and elastic cross-sections are calculated for a wide range of energies. In addition, we predict the formation of a translationally and rotationally cold molecular ion (MgCs)+ in the ground-state electronic potential energy through a stimulated Raman-type process aided by ion–atom cold collision. In the low-energy limit (<1 mK), elastic scattering cross-sections exhibit Wigner law threshold behavior, while in the high-energy limit, the cross-sections act as a function of energy E go as E−1/3. A qualitative discussion about the possibilities of forming cold (MgCs)+ molecular ions by photoassociative spectroscopy is presented.
]]>Atoms doi: 10.3390/atoms11090120
Authors: Evgeny Stambulchik
Stark broadening of Lyman-α of a hydrogen-like atom in the presence of a strong magnetic field is analyzed. The shape of the central (π) component of the Lorentz–Zeeman triplet is expressed analytically, taking into account the plasma coupling and microfield dynamic effects. It is shown that in a sufficiently strong magnetic field, the broadening of this component, contrary to the broadening of the lateral (σ) ones, is independent of the magnetic field and, therefore, can be used for the plasma density diagnostics. Comparison with computer simulations at conditions typical for tokamak divertors and white dwarf atmospheres shows a very good agreement.
]]>Atoms doi: 10.3390/atoms11090119
Authors: Dmitry A. Glazov Dmitrii V. Zinenko Valentin A. Agababaev Artyom D. Moshkin Elizaveta V. Tryapitsyna Anna M. Volchkova Andrey V. Volotka
The current status of the theoretical investigation of the bound-electron g factor in lithium-like and boron-like highly charged ions is reported. Some tension between the several theoretical values and measurements is discussed. Then, prospects for future investigations are briefly reviewed.
]]>Atoms doi: 10.3390/atoms11090118
Authors: Klaus Bergmann
The concept of dense and hot plasmas can be used to build up powerful and brilliant radiation sources in the soft X-ray and extreme ultraviolet spectral range. Such sources are used for nanoscale imaging and structuring applications, such as EUV lithography in the semiconductor industry. An understanding of light-generating atomic processes and radiation transport within the plasma is mandatory for optimization. The basic principles and technical concepts using either a pulsed laser or a gas discharge for plasma generation are presented, and critical aspects in the ionization dynamics are outlined within the framework of a simplified atomic physics model.
]]>Atoms doi: 10.3390/atoms11090117
Authors: Dennis Bonatsos Andriana Martinou Spyridon K. Peroulis Theodoros J. Mertzimekis Nikolay Minkov
The last decade has seen a rapid growth in our understanding of the microscopic origins of shape coexistence, assisted by the new data provided by the modern radioactive ion beam facilities built worldwide. Islands of the nuclear chart in which shape coexistence can occur have been identified, and the different microscopic particle–hole excitation mechanisms leading to neutron-induced or proton-induced shape coexistence have been clarified. The relation of shape coexistence to the islands of inversion, appearing in light nuclei, to the new spin-aligned phase appearing in N=Z nuclei, as well as to shape/phase transitions occurring in medium mass and heavy nuclei, has been understood. In the present review, these developments are considered within the shell-model and mean-field approaches, as well as by symmetry methods. In addition, based on systematics of data, as well as on symmetry considerations, quantitative rules are developed, predicting regions in which shape coexistence can appear, as a possible guide for further experimental efforts that can help in improving our understanding of the details of the nucleon–nucleon interaction, as well as of its modifications occurring far from stability.
]]>Atoms doi: 10.3390/atoms11090116
Authors: Paul Böhm Yuliia Hrabar Dirk Rudolph Pavel Golubev Luis G. Sarmiento Helena M. Albers John T. Anderson Michael A. Bentley Michael P. Carpenter Christopher J. Chiara Patrick A. Copp Ulrika Forsberg Tianheng Huang Heshani Jayatissa Torben Lauritsen Claus Müller-Gatermann Xesus Pereira-Lopez Walter Reviol Darek Seweryniak Sanna Stolze Sivahami Uthayakumaar Gemma L. Wilson Jin Wu
High-spin nuclear isomers in N≈Z nuclei between doubly magic 40Ca and 56Ni provide an excellent testing ground for the nuclear shell model and questions related to isospin symmetry breaking in the vicinity of the proton drip line. The purpose of the present study is to investigate the possibility of weak electromagnetic decay branches along the decay paths of the 6526-keV 10+ isomer in 54Fe. The isomer was strongly populated by means of the fusion-evaporation reaction 24Mg(36Ar,α2p)54mFe. The Gammasphere array was used to detect γ-ray cascades emitted from the isomeric state. By means of γγγ coincidences, weak non-yrast decay branches can be discriminated, with the isomer’s half-life confirmed at T1/2=363(4) ns. The yrast 61+→21+ E4 cross-over transition was interrogated. The observations are compared with shell-model calculations.
]]>Atoms doi: 10.3390/atoms11090115
Authors: Sayon Satpati Tarun Roy Anakuthil Anoop Venkatesan S. Thimmakondu Subhas Ghosal
Fourteen highly reactive isomers of C5H and their ionic counterparts have been theoretically investigated using density functional theory (DFT) and coupled-cluster methods. The linear C5H (l-C5H) radical, pent-1,3-diyn-5-yliden-1-yl (1), along with its cationic form and the cyclic C5H (c-C5H), 1-ethynylcycloprop-1-en-2-yl-3-ylidene (2), have recently been detected in the Taurus Molecular Cloud-1. By using the UCCSD(T)/cc-pCVTZ level of theory, the calculated rotational constants and other spectroscopic parameters are found to be in good agreement with the available experimental data for isomers 1 and 2. Therefore, the current theoretical study may assist synthetic chemists and molecular spectroscopists in detecting other isomers in the laboratory or in the interstellar medium (ISM). Thermodynamically favorable rearrangement schemes for forming low-lying isomers 1, 2, and 3 have also been studied theoretically, and (2λ3-cycloprop-2-en-1-ylidene)ethenylidene (3) with a large dipole moment (μ = 4.73 Debye) is proposed to be a plausible candidate for detection in the ISM.
]]>Atoms doi: 10.3390/atoms11080114
Authors: Rasheed Shaik Hari R. Varma Himadri S. Chakraborty
The ground state and photoionization properties of Nax (x = 20, 40, and 92) clusters are investigated using a method based on density functional theory (DFT) in a spherical jellium frame. Two different exchange–correlation treatments with the Gunnarsson–Lundqvist parametrization are used: (i) the electron self-interaction correction (SIC) scheme and (ii) the van Leeuwen–Baerends (LB94) scheme based on the gradient of the electron density. The shapes of the mean-field potentials and bound state properties, obtained in the two schemes, qualitatively agree, but differ in the details. The effect of the schemes on the photoionization dynamics, calculated in linear response time-dependent DFT is compared, in which the broader features are found to be universal. The general similarity of the results in SIC and LB94 demonstrates the reliability of DFT treatments. The study further elucidates the evolution of the ground state and ionization description as a function of the cluster size.
]]>Atoms doi: 10.3390/atoms11080113
Authors: Ankur Mandal
For homogeneous driving, half cycle harmonics and its corresponding half cycle cutoff (HCO) show prominent spectral features, allowing one to produce an isolated attosecond pulse with suitable filtering, or vice versa the retrieval of the driving pulse itself. The temporal profile and spatial dependence of the inhomogeneously enhanced field are two important factors that determine the high harmonic generation (HHG) near a plasmonic nanostructure. This leads us to the question of how the HHG spectra and, in particular, the corresponding half cycle harmonics modify with different types of inhomogeneously enhanced fields. To elucidate this, we have made a comparative study of the HHG in three different types of inhomogeneously enhanced laser pulses by employing the time-dependent Schrödinger equation in one dimension. Within our chosen parameter range, the HCO in cutoff and mid-plateau regimes shift towards higher order with the increase of strength of the inhomogeneity in isotropic case. In anisotropic inhomogeneity, the cutoff HCO shifts towards the higher order but the mid-plateau HCO shifts towards lower order with the increase of strength of inhomogeneity. With increasing carrier envelope phase (CEP), the enhanced HCO in the lower-order harmonic region shifts towards higher orders. This shift is nearly linear from near the above threshold to mid-plateau region and becomes saturated in the near cutoff region. The harmonic spectra is modulo-π periodic for the isotropic inhomogeneity and it is modulo-2π periodic for the anisotropic inhomogeneity. This extension of periodicity increases the tunability of the enhanced HCO harmonics with CEP in the anisotropic inhomogeneity than the CEP tuning of the HCO harmonics in the isotropic inhomogeneity or vice versa the retrieval of CEP.
]]>Atoms doi: 10.3390/atoms11080112
Authors: Corey T. Plowman Kade H. Spicer Alisher S. Kadyrov
We extend the two-centre wave-packet convergent close-coupling approach to doubly differential ionisation in proton collisions with H2 to intermediate projectile energies. The results for the doubly differential cross section at projectile energies from 48 to 200 keV are presented as a function of the energy and angle of emitted electrons. We consider a wide range of emission angles from 10 to 160∘, and compare our results to experimental data, where available. Excellent agreement between the presented results and the experimental data was found, especially for emission angles less than 130∘. For very large backward emission angles our calculations tended to slightly overestimate the experimental data when energetic electrons are ejected and the doubly differential cross section is very small. This discrepancy may be due to the large uncertainties in the experimental data in this region and the model target description. Overall, the present results show significant improvement upon currently available theoretical results and provide a consistently accurate description of this process across a wide range of incident energies.
]]>Atoms doi: 10.3390/atoms11080111
Authors: Giuseppe Bevilacqua Valerio Biancalana Yordanka Dancheva
The dynamic response of a Bell-and-Bloom magnetometer to a parallel (to the bias field) time-dependent field is studied by means of a model that goes beyond the commonly assumed quasi-static regime. The findings unveil features that are related to the parametric nature of the considered system. It is shown that for low-amplitude time-dependent fields, different operating conditions are possible and that, besides the commonly reported low-pass filter behavior, a band-pass response emerges. Moreover, we show that a larger amplitude of the time-dependent field makes the parametric nature of the system appear more clearly in the output signal. A harmonic analysis of the latter is numerically performed to highlight and characterize these emerging features.
]]>Atoms doi: 10.3390/atoms11080110
Authors: G. A. Domínguez-Castro
Polarons, quasiparticles resulting from the interaction between an impurity and the collective excitations of a medium, play a fundamental role in physics, mainly because they represent an essential building block for understanding more complex many-body phenomena. In this manuscript, we study the spectral properties of a single impurity mixed with identical bosons in a one-dimensional lattice with power-law hopping. In particular, based on the so-called T-matrix approximation, we show the existence of well-defined quasiparticle branches for several tunneling ranges and for both repulsive and attractive impurity-boson interactions. Furthermore, we demonstrate the persistence of the attractive polaron branch when the impurity-boson bound state is absorbed into the two-body continuum and that the attractive polaron becomes more robust as the range of the hopping increases. The results discussed here are relevant for the understanding of the equilibrium properties of quantum systems with power-law interactions.
]]>Atoms doi: 10.3390/atoms11080109
Authors: Klejdja Xhani Giulia Del Pace Francesco Scazza Giacomo Roati
We investigate the role of vortices in the decay of persistent current states of annular atomic superfluids by solving numerically the Gross–Pitaevskii equation, and we directly compare our results with the 6Li experiment at LENS data. We theoretically model the optical phase-imprinting technique employed to experimentally excite finite-circulation states in the Bose–Einstein condensation regime, accounting for imperfections of the optical gradient imprinting profile. By comparing simulations of this realistic protocol to an ideal imprinting, we show that the introduced density excitations arising from imperfect imprinting are mainly responsible for limiting the maximum reachable winding number wmax in the superfluid ring. We also investigate the effect of a point-like obstacle with variable potential height V0 on the decay of circulating supercurrents. For a given obstacle height, a critical circulation wc exists, such that for an initial circulation w0 larger than wc the supercurrent decays through the emission of vortices, which cross the superflow and thus induce phase slippage. Higher values of the obstacle height V0 further favor the entrance of vortices, thus leading to lower values of wc. Furthermore, the stronger vortex-defect interaction at higher V0 leads to vortices that propagate closer to the center of the ring condensate. The combination of both these effects leads to an increase in the supercurrent decay rate for increasing w0, in agreement with experimental observations.
]]>Atoms doi: 10.3390/atoms11070108
Authors: Kevin Scharl Shiqian Ding Georg Holthoff Mahmood Irtiza Hussain Sandro Kraemer Lilli Löbell Daniel Moritz Tamila Rozibakieva Benedict Seiferle Florian Zacherl Peter G. Thirolf
For the realization of an optical nuclear clock, the first isomeric excited state of thorium-229 (229mTh) is currently the only candidate due to its exceptionally low-lying excitation energy (8.338±0.024 eV). Such a nuclear clock holds promise not only to be a very precise metrological device but also to extend the knowledge of fundamental physics studies, such as dark matter research or variations in fundamental constants. Considerable progress was achieved in recent years in characterizing 229mTh from its first direct identification in 2016 to the only recent observation of the long-sought-after radiative decay channel. So far, nuclear resonance as the crucial parameter of a nuclear frequency standard has not yet been determined with laser-spectroscopic precision. To determine another yet unknown basic property of the thorium isomer and to further specify the linewidth of its ground-state transition, a measurement of the ionic lifetime of the isomer is in preparation. Theory and experimental investigations predict the lifetime to be 103–104 s. To precisely target this property using hyperfine structure spectroscopy, an experimental setup is currently being commissioned at LMU Munich. It is based on a cryogenic Paul trap providing long-enough storage times for 229mTh ions, that will be sympathetically cooled with 88Sr+. This article presents a concept for an ionic lifetime measurement and discusses the laser-optical part of a setup specifically developed for this purpose.
]]>Atoms doi: 10.3390/atoms11070107
Authors: James S. Sims Bholanath Padhy María Belén Ruiz Ruiz
The exponentially correlated Hylleraas–configuration interaction method (E-Hy-CI) is a generalization of the Hylleraas–configuration interaction method (Hy-CI) in which the single rij of an Hy-CI wave function is generalized to a form of the generic type rijνije−ωijrij. This work continues the exploration, begun in the first two papers in this series (on the helium atom and on ground and excited S states of Li II), of whether wave functions containing both linear and exponential rij factors converge more rapidly than either one alone. In the present study, we examined not only 1s2 1S states but 1s2p 1P states for the He I, Li II, Be III, C V and O VII members of the He isoelectronic sequence as well. All 1P energies except He I are better than previous results. The wave functions obtained were used to calculate oscillator strengths, including upper and lower bounds, for the He-sequence lowest (resonance) 1S→1P transition. Interpolation techniques were used to make a graphical study of the oscillator strength behavior along the isoelectronic sequence. Comparisons were made with previous experimental and theoretical results. The results of this study are oscillator strengths for the 1s2 1S→ 1s2p1P He isoelectronic sequence with rigorous non-relativistic quantum mechanical upper and lower bounds of (0.001–0.003)% and probable precision ≤ 0.0000003, and were obtained by extending the previously developed E-Hy-CI formalism to include the calculation of transition moments (oscillator strengths).
]]>Atoms doi: 10.3390/atoms11070106
Authors: Bhushan Bhujang Pragya Das
We investigated the enhanced production of nuclei formed via incomplete fusion (ICF) reactions near and above the Coulomb barrier energies (5–8 MeV/A). The cross-sections of the evaporation residues formed in the reactions—11B+124Sn, 10B+124Sn and 11B+122Sn—were measured using off-line gamma-ray spectrometry. The sum rule model (SRM) by Wilczyński et al. predicted the cross-section values too low compared to our experimental results. In earlier studies, the same model has been very successful in explaining ICF reactions at high beam energies (>10 MeV/A). We, therefore, modified the SRM, specifically incorporating the energy dependence in the definition of critical angular momentum ℓcr. The resulting modified SRM gave an improved theoretical estimate for the reactions we studied.
]]>Atoms doi: 10.3390/atoms11070105
Authors: Jean-Christophe Pain
In this non-exhaustive review, we discuss the importance of invariant vectors in atomic physics, such as the Laplace–Runge–Lenz vector, the Redmond vector in the presence of an electric field, the Landau–Avron–Sivardièrevector when the system is subject to a magnetic field, and the supergeneralized Runge–Lenz vector for the two-center problem. The application to the Stark and Zeeman effects are outlined. The existence of constants of motion in the charge-dyon system is also briefly mentioned.
]]>Atoms doi: 10.3390/atoms11070104
Authors: Greg A. Riggs Mark E. Koepke Ted S. Lane Thomas E. Steinberger Pawel M. Kozlowski Igor E. Golovkin
We report on the simulation of temperature gradients in tamped NaFMgO target-foil plasma, heated and backlit by z-pinch dynamic hohlraum radiation. Our approach compares the spectroscopic output of a collisional-radiative model (prismspect) with soft X-ray absorption spectra collected on Sandia National Laboratories’ (SNL) Z Pulsed Power Facility. The pattern of minimum χ2 is seen to agree with an efficient, three-parameter model. Results show that a negligible gradient in electron temperature Te is consistent with experimental data, justifying the assumptions of previous work. The predicted sensitivity of line spectra to the gradient-aligned profile of Te is documented for each spectral feature, so that the line-area ratio between a pair of spectral features may be assessed as a proxy for the existence and quantification of such gradients.
]]>Atoms doi: 10.3390/atoms11070103
Authors: Sergey Stremoukhov
The results of a study on the effect of pressure in a medium consisting of a set of gas jets separated by vacuum gaps, interacting with two-color laser fields formed by the fundamental and the second harmonics of a laser, are presented herein. It has been demonstrated that a decrease in pressure leads to a shift in the region of harmonics where quasi-phase matching (QPM) occurs towards shorter wavelength radiation, accompanied by an increase in the efficiency of amplification of these harmonics. A feature of this process is the identical power-law character of the shift in the region and the increase in the efficiency of harmonic QPM amplification. Additionally, the study presents the results of the effect of inaccurately setting the width of the gas jets on the shape of the spectrum of harmonic QPM amplification.
]]>Atoms doi: 10.3390/atoms11070102
Authors: Yong-Chang Zhang Fabian Maucher
It has been shown that quantum fluctuations in dipolar Bose–Einstein condensates (BECs) lead to a stabilisation against collapse, thereby providing access to a range of states with different symmetries. In this paper, we discuss variational approaches to approximately determine the phase diagrams for dipolar BECs that are trapped along the dipolar orientation and otherwise infinite in the perpendicular direction (thermodynamic limit). The two-dimensional symmetry breaking occurs in the plane perpendicular to the polarisation axis. We show in detail how to derive approximate expressions that are valid in a region where modulations to an otherwise unmodulated perfect superfluid emerge gradually with a small modulation amplitude and compare the results to rigorous numerics.
]]>Atoms doi: 10.3390/atoms11070101
Authors: Nicola Piovella
We present analytic expressions for the scattering of light by an extended atomic cloud. We obtain the solution for the mean-field excitation of different atomic spherical distributions driven by a uniform laser, including the initial build up, the steady state and the decay after the laser is switched off. We show that the mean-field model does not describe subradiant scattering due to the negative interference of the photons scattered by N discrete atoms.
]]>Atoms doi: 10.3390/atoms11060100
Authors: Egor Sergeevich Khramov Valery Alexandrovich Astapenko
We considered the resonance scattering of ultrashort laser pulses (USLP) on the bound electrons of hydrogen-like ions in a dense plasma. A process description was proposed in terms of full scattering probability during the time of pulse action. Dense plasma’s effect was demonstrated at the resonance scattering cross-section spectrum, and the probability dependence on USLP carrier frequency and duration was obtained for the cases of isolated ions and ions in a dense plasma.
]]>Atoms doi: 10.3390/atoms11060099
Authors: Anna Kuzmenko Vyacheslav Gauzshtein Eed Darwish Alexander Fix Matvey Kuzin Michael Levchuk Alexey Loginov Dmitriy Nikolenko Igor Rachek Yuriy Shestakov Dmitriy Toporkov Arseniy Yurchenko Bogdan Vasilishin Sergey Zevakov
New results for the T20-component of the tensor-analyzing power of the incoherent negative pion photoproduction are presented. The experiment was performed for the electron beam energy of 800 MeV at the VEPP-3 storage ring in 2021. To extract the T20-component, we used asymmetry with respect to the change in the sign of the tensor polarization of the deuteron target. Identification of the reaction events was carried out by the detection of two protons in coincidence. Experimental data were compared with the results of statistical simulation, considering the interaction between the NN and πN subsystems in the final state of the reaction.
]]>Atoms doi: 10.3390/atoms11060098
Authors: Armin Danner Hartmut Lemmel Richard Wagner Stephan Sponar Yuji Hasegawa
Quantum theory provides us with the best account of microscopic components of matter as well as of radiation. It was introduced in the twentieth century and has experienced a wide range of success. Although the theory’s probabilistic predictions of final experimental outcomes is found to be correct with high precision, there is no general consensus regarding what is actually going on with a quantum system “en route”, or rather the perceivable intermediate behavior of a quantum system, e.g., the particle’s behavior in the double-slit experiment. Neutron interferometry using single silicon perfect crystals is established as a versatile tool to test fundamental phenomena in quantum mechanics, where an incident neutron beam is coherently split in two or three beam paths with macroscopic separation of several centimeters. Here, we present quantum optical experiments with these matter-wave interferometers, studying the effect of the quantum Cheshire Cat in some variants, the neutron’s presence in the paths of the interferometer as well as the direct test of a commutation relation. To reduce disturbances induced by the measurement, the interaction strength is lessened and so-called weak interactions are exploited by employing pre- and post-selection procedures. All results of the experiments confirm the predictions of quantum theory; the observed behaviors of the neutron between the pre- and post-selection in space and time emphasize striking and counter-intuitive aspects of quantum theory.
]]>Atoms doi: 10.3390/atoms11060097
Authors: Danish Furekh Dar Stephan Fritzsche
In this study, we employ strong field approximation (SFA) to investigate the influence of the number of pulse cycles on above-threshold ionization within the framework of nondipole theory. The SFA enables the analysis of the ionization process under the dominance of the electric field, compared to other factors such as the binding potential of an atom. Nondipole effects, including higher-order multipole fields, can significantly impact ionization dynamics. However, the interaction between nondipole effects and pulse cycles remains unclear. Therefore, we investigate the pulse cycle dependence of ionization and examine peak shifts in Kr and Ar atoms. Our findings have implications for comprehensively understanding the effects of electromagnetic fields on electron behavior. The insights gained from this study provide valuable guidance for future research in strong field ionization.
]]>Atoms doi: 10.3390/atoms11060096
Authors: Sayon Satpati Tarun Roy Sandip Giri Anakuthil Anoop Venkatesan S. Thimmakondu Subhas Ghosal
We have theoretically investigated nine unusual isomers of the molecular formula C5H4 using coupled cluster (CC) and density functional theory (DFT) methods. These molecules possess non-classical structures consisting of two pyramidanes, three planar tetracoordinate carbon (ptC), and four spiro types of isomers. Both the pyramidanes (tetracyclo-[2.1.0.01,3.02,5]pentane; py-1 and tricyclo-[2.1.0.02,5]pentan-3-ylidene; py-2) are minima on the potential energy surface (PES) of C5H4. Among the three isomers containing ptC, (SP4)-spiro [2.2]pent-1-yne (ptC-2) is a minimum, whereas isomer, (SP4)-spiro [2.2]pent-1,4-diene (ptC-1) is a fourth-order saddle point, and (SP4)-sprio[2.2]pent-1,4-diylidene (ptC-3) is a transition state. The corresponding spiro isomers spiro[2.2]pent-1,4-diene (spiro-1), sprio[2.2]pent-1,4-diylidene (spiro-3) and spiro[2.2]pent-4-en-1-ylidene (spiro-4) are local minima, except spiro[2.2]pent-1-yne (spiro-2), which is a second-order saddle point. All relative energies are calculated with respect to the global minimum (pent-1,3-diyne; 1) at the CCSD(T)/cc-pVTZ level of theory. Quantum chemical calculations have been performed to analyze the bonding and topological configurations for all these nine isomers at the B3LYP/6-311+G(d,p) level of theory for a better understanding of their corresponding electronic structures. ptC-2 was found to be thermodynamically more stable than its corresponding spiro counterpart (spiro-2) and possesses a high dipole moment (μ = 4.64 D). The stability of the ptC structures with their higher spin states has been discussed.
]]>Atoms doi: 10.3390/atoms11060095
Authors: Trevor Scheuing Jesús Pérez-Ríos
This work presents a theoretical approach for lineshapes of Rydberg excitations in high-density media. In particular, we introduce the quasi-static lineshape theory, leading to a methodic and general approach, and its validity is studied. Next, using 84Sr as a prototypical scenario, we discuss the role of the thermal atoms and core–perturber interactions, generally disregarded in Rydberg physics. Finally, we present a characterization of the role of Rydberg–core perturber interactions based on the density and principal quantum number that, beyond affecting the lineshape, could potentially apply to chemi-ionization reactions responsible for the decay of Rydberg atoms in high-density media.
]]>Atoms doi: 10.3390/atoms11060094
Authors: Keren Lin Motoshi Goto Hiroshi Akatsuka
In this study, eight emission lines in the visible wavelength range of neutral helium were used to diagnose the electron density and temperature of the Large Helical Device (LHD) helium plasma instead of the conventional three-line method. The collisional-radiative (CR) model for low-pressure helium plasma was revised to include the optical escape factors for spontaneous transition from the n1P states to the ground state so that the influence of the absorption effect under optically thick conditions could be considered. The developed algorithm was based on fitting the number densities of eight excited states obtained using optical emission spectroscopy (OES). The electron density, electron temperature, ground-state density, and optical escape factors were selected as the fitting parameters. The objective function was set as the summation of the residual errors between the number densities measured in the experiment and those calculated using the revised model. A regularization term was introduced for the optical escape factor and optimized through bias and variance analyses. The results show that the agreement between the number density calculated by the algorithm and its counterpart measured in the experiment was generally improved compared to the method using three lines.
]]>Atoms doi: 10.3390/atoms11060093
Authors: Jacek Bieroń Charlotte Froese Fischer Per Jönsson
The year 2022 marked the 10th anniversary not only of the ATOMS journal but also of the international collaboration on Computational Atomic Structure [...]
]]>Atoms doi: 10.3390/atoms11060092
Authors: Aleksei S. Kornev Vladislav E. Chernov
In this paper, we theoretically study the laser-induced modification of the vibrational parameters of a carbon dioxide molecule regarding its tunnel ionization. Our study predicts a 5% increase in the ionization rate in anti-Stokes channels that corresponds to pumping the Σu mode up to vai=10. The molecule is imparted with an additional energy from the pre-pumped vibrational states, which is absorbed during ionization. As a result, the tunneling rate increases. This amplification of tunnel ionization of the CO2 gas target can potentially be used for the laser separation of carbon isotopes.
]]>Atoms doi: 10.3390/atoms11060091
Authors: Abdulah S. Jašarević Elvedin Hasović Dejan B. Milošević
In the present paper, we study the high-order above-threshold ionization of noble-gas atoms using a bi-elliptic orthogonal two-color (BEOTC) field. We give an overview of the SFA theory and calculate the differential ionization rate for various values of the laser field parameters. We show that the ionization rate strongly depends on the ellipticity and the relative phase between two field components. Using numerical optimization, we find the values of ellipticity and relative phase that maximize the ionization rate at energies close to the cutoff energy. To explain the obtained results, we present, to the best of our knowledge, for the first time the quantum-orbit analysis in the BEOTC field. We find and classify the saddle-point (SP) solutions and study their contributions to the total ionization rate. We analyze quantum orbits and corresponding velocities to explain the contribution of relevant SP solutions.
]]>Atoms doi: 10.3390/atoms11060090
Authors: Steven T. Manson
The spin-orbit interaction is quite small compared to electrostatic forces in atoms. Nevertheless, this small interaction can have large consequences. Several examples of the importance of the spin-orbit force in atomic photoionization are presented and explained.
]]>Atoms doi: 10.3390/atoms11060089
Authors: Tianyi Yan Matthew Collins Rejish Nath Weibin Li
We studied signatures of quantum chaos in dynamics of Rydberg-dressed bosonic atoms held in a one-dimensional triple-well potential. Long-range nearest-neighbor and next-nearest-neighbor interactions, induced by laser dressing atoms to strongly interacting Rydberg states, drastically affect mean-field and quantum many-body dynamics. By analyzing the mean-field dynamics, classical chaos regions with positive and large Lyapunov exponents were identified as a function of the potential well tilting and dressed interactions. In the quantum regime, it was found that level statistics of the eigen-energies gain a Wigner–Dyson distribution when the Lyapunov exponents are large, giving rise to signatures of strong quantum chaos. We found that both the time-averaged entanglement entropy and survival probability of the initial state have distinctively large values in the quantum chaos regime. We further showed that population variances could be used as an indicator of the emergence of quantum chaos. This might provide a way to directly probe quantum chaotic dynamics through analyzing population dynamics in individual potential wells.
]]>Atoms doi: 10.3390/atoms11060088
Authors: Victor Varentsov
This paper proposes a new double-nozzle technique for in-gas-jet laser resonance ionization spectroscopy. We explored the functionality of this new technique through detailed gas dynamic and Monte Carlo atom-trajectory simulations, in which results are presented and discussed. The results of similar computer simulations for JetRIS setup (as a typical representative of the conventional in-gas-jet technique nowadays) are also presented and discussed. The direct comparison of calculation results for the proposed new technique with the conventional one shows that the double-nozzle technique has many advantages compared with the one used in the JetRIS setup at GSI for future high-resolution laser spectroscopic study of heaviest elements. To fully implement the proposed new technique in all existing (or under construction) setups for in-gas-jet laser resonance ionization spectroscopy, it will be enough to replace the used supersonic nozzle with the miniature double-nozzle device described in the paper.
]]>Atoms doi: 10.3390/atoms11060087
Authors: Swapan Biswas Anal Bhowmik Arghya Das Radha Raman Pal Sonjoy Majumder
The growing interest in atomic structures of moderately stripped alkali-like ions in the diagnostic study and modeling of astrophysical and laboratory plasma makes an accurate many-body study of atomic properties inevitable. This work presents transition line parameters in the absence or presence of plasma atmosphere for astrophysically important candidates Ar7+, Kr7+, Xe7+, and Rn7+. We employ relativistic coupled-cluster (RCC) theory, a well-known correlation exhaustive method. In the case of a plasma environment, we use the Debye Model. Our calculations agree with experiments available in the literature for ionization potentials, transition strengths of allowed and forbidden selections, and lifetimes of several low-lying states. The unit ratios of length and velocity forms of transition matrix elements are the critical estimation of the accuracy of the transition data presented here, especially for a few presented for the first time in the literature. We do compare our findings with the available recent theoretical results. Our reported data can be helpful to the astronomer in estimating the density of the plasma environment around the astronomical objects or in the discovery of observational spectra corrected by that environment. The present results should be advantageous in the modeling and diagnostics laboratory plasma, whereas the calculated ionization potential depression parameters reveal important characteristics of atomic structure.
]]>Atoms doi: 10.3390/atoms11060086
Authors: Roman N. Sagaidak
Carbon stopping power (SP) data for heavy ions (HIs), obtained around Bohr velocities, revealed remarkably lower values than those predicted using the SRIM/TRIM calculations/simulations. An attempt was made to extract the elastic (collisional) and inelastic (electronic) components from the available SP data obtained in experiments. A problem is that essentially, total SP is measured in experiments, whereas electronic SP values, usually presented as the results, are derived via the subtraction of the calculated collisional component from the measured values. At high HI reduced velocities (V/v0)/ZHI2/3≳0.3 (V and v0 are HI and Bohr velocities, respectively, and ZHI is the HI atomic number), the collisional component can be neglected, whereas at Bohr velocities it becomes comparable to the electronic one. These circumstances were used to compare the experimental SP data with the SRIM/TRIM calculations/simulations and to empirically obtain corrections to the collisional and inelastic SP components.
]]>Atoms doi: 10.3390/atoms11050085
Authors: Elmar Träbert
Multiply charged ions of iron dominate the EUV spectrum of the solar corona. For the interpretation of such spectra, data on both the atomic structure and the transition rate are essential, most of which are provided by theory and computation. The wavelengths of observed spectra are used to test the predicted energy level structure, while the line intensities depend on level lifetimes and branch fractions. A number of electric dipole and higher-order transition rates have been measured over the years in the laboratory, mostly by beam-foil spectroscopy, at heavy-ion storage rings, and at various ion traps. In this paper, the state of the knowledge base on level lifetimes in all ions of Fe is assessed, and the problems of further progress are outlined.
]]>Atoms doi: 10.3390/atoms11050084
Authors: Brock Grafstrom Alexandra S. Landsman
The analysis and measurement of Wigner time delays can provide detailed information about the electronic environment within and around atomic and molecular systems, with one the key differences being the lack of a long-range potential after a halogen ion undergoes photoionization. In this work, we use relativistic random-phase approximation to calculate the average Wigner delay from the highest occupied subshells of the atomic pairings (2p, 2s in Fluorine, Neon), (3p, 3s in Chlorine, Argon), (4p, 4s, 3d, in Bromine, Krypton), and (5p, 5s, 4d in Iodine, Xenon). The qualitative behaviors of the Wigner delays between the isoelectronic pairings were found to be similar in nature, with the only large differences occurring at photoelectron energies less than 20 eV and around Cooper minima. Interestingly, the relative shift in Wigner time delays between negatively charged halogens and noble gases decreases as atomic mass increases. All atomic pairings show large differences at low energies, with noble gas atoms showing large positive Wigner delays, while negatively charged halogen ions show negative delays. The implications for photoionization studies in halide-containing molecules is also discussed.
]]>Atoms doi: 10.3390/atoms11050083
Authors: Lakhi Sharma Atish Roy Subhasis Panja Subhadeep De
We report the frequency stabilization of an external cavity diode laser (ECDL) to a reference molecular iodine (I2) transition at 13,531.18 cm−1 (739.03382 nm). Using the Modulation Transfer Spectroscopy (MTS) method for the highly sensitive detection of weak absorption signals, the Doppler-free absorption peaks of I2 corresponding to the hot band transition R(78) (1–11) are resolved. The ECDL’s frequency is stabilized with respect to one of the lines lying within the reference absorption band. For this, the iodine vapor cell is heated to 450 °C and the corresponding circularly polarized pump and probe beam powers are maintained at 10 mW and 1 mW, respectively, to avoid power broadening. The short (100 ms) and long-term (50 h) linewidths of the frequency stabilized laser are measured to be 0.75(3) MHz and 0.5(2) MHz, respectively, whereas the natural linewidth of the specific I2-transitions lie within a range of tens of MHz.
]]>Atoms doi: 10.3390/atoms11050082
Authors: Nikita Dhankhar Neha Rakesh Choubisa
Electron vortex beams (EVBs, also known as twisted electron beams) possess an intrinsic orbital angular momentum (OAM) with respect to their propagation direction. This intrinsic OAM represents a new degree of freedom that provides new insights into investigating the dynamics of electron impact ionization. In this communication, we present, in the first Born approximation (FBA), the angular profiles of the triple differential cross section (TDCS) for the (e, 2e) process on CH4 and NH3 molecular targets in the coplanar asymmetric geometry. We compare the TDCS of the EVB for different values of OAM number m with that of the plane wave. For a more realistic scenario, we investigate the average TDCS for macroscopic targets to explore the influence of the opening angle θp of the twisted electron beam on the TDCS. In addition, we also present the TDCS for the coherent superposition of two EVBs. The results demonstrate that the twisted (e, 2e) process retrieves the p-type character of the molecular orbitals, which is absent in the plane wave TDCS for the given kinematics. The results for the coherent superposition of two Bessel beams show the sensitivity of TDCS toward the OAM number m.
]]>Atoms doi: 10.3390/atoms11050081
Authors: Antônio Carlos Fontes dos Santos Károly Tőkési
Using measured cross-sections and polarizability data, an empirical scaling law is extracted for the electron collision single-ionization cross-section maxima of neutral atoms. We found that the cross sections scale linearly with the target’s static polarizability. We confirm this observation using our present three-body classical trajectory Monte Carlo simulations.
]]>Atoms doi: 10.3390/atoms11050080
Authors: Stephan Fritzsche Li-Guang Jiao Yuan-Cheng Wang Jozef E. Sienkiewicz
The electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to name just a few. Despite their significance, however, little is known quantitatively about these processes for low- and medium-impact energies of, say, Ekin≲5000 eV of the free incident electron. To further explore the role of impact excitation, we here expanded Jac, the Jena Atomic Calculator, to the computation of distorted wave collision strengths for fine-structure-resolved, as well as configuration-averaged transitions. While we excluded the formation of dielectronic resonances, these tools can be readily applied for ions with a complex shell structure and by including the major relativistic contributions to these strengths. Detailed computations of the collision strengths are shown and explained for the impact excitation of lithium- and chlorine-like ions. When compared with other, well-correlated methods, good agreement was found, and hence, these tools will support studies of effective collision strengths for a wide range of electron impact energies, levels, and ionic charge states.
]]>Atoms doi: 10.3390/atoms11050079
Authors: A. L. Harris
Over the last decade, it has become clear that for heavy ion projectiles, the projectile’s transverse coherence length must be considered in theoretical models. While traditional scattering theory often assumes that the projectile has an infinite coherence length, many studies have demonstrated that the effect of projectile coherence cannot be ignored, even when the projectile-target interaction is within the perturbative regime. This has led to a surge in studies that examine the effects of the projectile’s coherence length. Heavy-ion collisions are particularly well-suited to this because the projectile’s momentum can be large, leading to a small deBroglie wavelength. In contrast, electron projectiles that have larger deBroglie wavelengths and coherence effects can usually be safely ignored. However, the recent demonstration of sculpted electron wave packets opens the door to studying projectile coherence effects in electron-impact collisions. We report here theoretical triple differential cross-sections (TDCSs) for the electron-impact ionization of helium using Bessel and Laguerre-Gauss projectiles. We show that the projectile’s transverse coherence length affects the shape and magnitude of the TDCSs and that the atomic target’s position within the projectile beam plays a significant role in the probability of ionization. We also demonstrate that projectiles with large coherence lengths result in cross-sections that more closely resemble their fully coherent counterparts.
]]>Atoms doi: 10.3390/atoms11050078
Authors: Nihal Rahul Sharma Navjot Kaur Mamta Sharma B. C. Choudhary J. K. Goswamy
In this work, a group-11 metal nanoparticle-embedded, graphitic carbon nitride-based, resistive-type sensor was developed for room temperature acetone sensing. We synthesized pure and group-11 transition metal (Cu, Ag and Au) nanoparticles embedded in graphitic carbon nitride (gCN) by thermal polycondensation and chemical reduction methods. The synthesized material was characterized using UV/visspectroscopy, FTIRspectroscopy, XRD, HRTEM, FESEM, and EDS techniques. Sensing properties such as response, response/recovery time, selectivity, and stability were calculated. This study confirms that Ag/gCN is the best material for room temperature sensing of acetone compared to Cu/gCN, Au/gCN, and pure gCN. The response of Ag/gCN for 20 ppm acetone at room temperature is 28%. The response/recovery time is 42.05/37.09 s. Moreover, the response of Ag/gCN is stable for 10 days.
]]>Atoms doi: 10.3390/atoms11050077
Authors: Orest Hryhorchak Volodymyr Pastukhov
In this article, we formulate a general scheme for the calculation of the thermodynamic properties of an ideal Bose gas with one or two immersed static impurities, when the bosonic particles are trapped in a harmonic potential with either a quasi-1D or quasi-2D configuration. The binding energy of a single impurity and the medium-induced Casimir-like forces between the two impurities are numerically calculated for a wide range of temperatures and boson–impurity interaction strengths.
]]>Atoms doi: 10.3390/atoms11050076
Authors: Luyou Xie Wenliang He Shengbo Niu Jinglin Rui Yulong Ma Chenzhong Dong
The L-shell dielectronic and trielectronic recombinations of highly charged Mg-like gold ions (Au67+) in the ground state 2s22p63s2 1S0 have been studied systematically. The recombination cross-sections and rate coefficients are carefully calculated for ∆n = 1 (2s/2p → 3l) transitions using a flexible atomic code based on the relativistic configuration interaction method and considering the Breit and QED corrections. Detailed resonance energies and resonance strengths are presented for the stronger resonances of the LMn (n = 3–12) series. It is found that the contributions of the trielectronic recombination to the total cross-section is about 13.75%, which cannot be neglected. For convenience of application, the plasma rate coefficients are also calculated and fitted to a semiempirical formula, and in the calculations, the contributions from the higher excited resonance groups n ≥ 13 are evaluated by an extrapolation method, which is about 2.93% of the total rate coefficient.
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