Atoms, Volume 11, Issue 1 (January 2023) – 13 articles

With metallic-magnetic calorimeters (MMCs), promising detectors for high-precision X-ray spectrometry in atomic and fundamental physics experiments are available. In this work, we present a pilot experiment based on a maXs-30 type MMC-spectrometer for recording X-rays emitted in collisions of lithium-like uranium ions with a molecular nitrogen gas jet in the internal target of the ESR storage ring of the GSI. Sample spectra have been measured, and a multitude of X-ray transitions have been unambiguously identified. As a first test and for comparison with data recorded at an EBIT, the 2s Lamb shift in lithium-like uranium was estimated. Full article

The latest published version of GRASP (General-purpose Relativistic Atomic Structure Package), i.e., GRASP2018, retains a few suboptimal subroutines/algorithms, which reflect the limited memory and file storage of computers available in the 1980s. Here we show how the efficiency of the relativistic self-consistent-field (SCF) procedure of the multiconfiguration-Dirac–Hartree–Fock (MCDHF) method and the relativistic configuration-interaction (RCI) calculations can be improved significantly. Compared with the original GRASP codes, the present modified version reduces the CPU times by factors of a few tens or more. The MPI performances for all the original and modified codes are carefully analyzed. Except for diagonalization, all computational processes show good MPI scaling. Full article

Collinear laser spectroscopy in the $1s2s{}^3{\mathrm{S}}_1\to 1s2p{}^3{\mathrm{P}}_{0,2}$ transitions of helium-like ${}^{11}$B${}^{3+}$ was performed using the HITRAP beamline at the GSI Helmholtz Centre. The ions were produced in an electron beam ion source, extracted, and accelerated to a beam energy of 4 keV/q. Results agree with previous measurements within uncertainty. Thus, it was demonstrated that the metastable state in He-like ions is sufficiently populated to carry out collinear laser spectroscopy. The measurement is a pilot experiment for a series of measurements that will be performed at a dedicated collinear laser spectroscopy setup at TU Darmstadt with light helium-like ions. Full article

We calculate the fully retarded one-photon exchange interaction potential between electrically neutral, identical atoms, one of which is assumed to be in an excited state, by matching the scattering matrix (S matrix) element with the effective Hamiltonian. Based on the Feynman prescription, we obtain the imaginary part of the interaction energy. Our results lead to precise formulas for the distance-dependent enhancement and suppression of the decay rates of entangled superradiant and subradiant Dicke states (Bell states), as a function of the interatomic distance. The formulas include a long-range tail due to entanglement. We apply the result to an example calculation involving two hydrogen atoms, one of which is in an excited P state. Full article

Positron scattering by beryllium atoms in the low-energy range (≤4.0 eV) was studied within ab initio and semiempirical frameworks. When interpreting the static dipole polarizability and the scattering length as representative quantities of the target and positron–atom correlations, the scattering observables obtained in the ab initio calculation were extrapolated by applying a semiempirical approach. Our results ratify previous ones, since no Ramsauer minimum structures or shape resonances were found in the cross sections. The presence of a ($e^{+},Be$) bound state was also identified as a function of the dipole polarizability. Full article

Electronic structure calculations are mostly carried out with Coulomb potential singularity adapted basis sets such as STO or contracted GTO. With another basis or for heavy elements, the pseudopotentials may appear as a practical alternative. Here, we introduce the exact pseudopotential (EPP) to remove the Coulomb singularity and test it for orbitals of small atoms with the interpolating wavelet basis set. We apply EPP to the Galerkin method with a basis set consisting of Deslauriers–Dubuc scaling functions on the half-infinite real interval. We demonstrate the EPP–Galerkin method by computing the hydrogen atom 1s, 2s, and 2p orbitals and helium atom configurations $\mathrm{He}1{\mathrm{s}}^2$, $\mathrm{He}1\mathrm{s}2\mathrm{s}{}^1\mathrm{S}$, and $\mathrm{He}1\mathrm{s}2\mathrm{s}{}^3\mathrm{S}$. We compare the method to the ordinary interpolating wavelet Galerkin method (OIW–Galerkin), handling the singularity at the nucleus by excluding the scaling function located at the origin from the basis. We also compare the performance of our approach to that of finite-difference approach, which is another practical method for spherical atoms. We find the accuracy of the EPP–Galerkin method to be better than both of the above-mentioned methods. Full article

Computational atomic physics continues to play a crucial role in both increasing the understanding of fundamental physics (e.g., quantum electrodynamics and correlation) and producing atomic data for interpreting observations from large-scale research facilities ranging from fusion reactors to high-power laser systems, space-based telescopes and isotope separators. A number of different computational methods, each with their own strengths and weaknesses, is available to meet these tasks. Here, we review the relativistic multiconfiguration method as it applies to the General Relativistic Atomic Structure Package [grasp2018, C. Froese Fischer, G. Gaigalas, P. Jönsson, J. Bieroń, Comput. Phys. Commun. (2018). DOI: 10.1016/j.cpc.2018.10.032]. To illustrate the capacity of the package, examples of calculations of relevance for nuclear physics and astrophysics are presented. Full article

Radiative double-electron capture, which can be considered the inverse of double photoionization, has been investigated for 2.11 MeV/u F${}^{9+}$ and F${}^{8+}$ projectiles colliding with the two-dimensional target single-layer graphene. Preliminary results for the cross sections are obtained and presented and compared with our previous measurements for the one-dimensional gas targets N${}_2$ and Ne, with the three-dimensional target thin-foil C, and with the most accurate theoretical results that currently exist. The graphene results reported here are reasonable when compared with the F${}^{9+}$+N${}_2$, Ne results given the thicknesses of the respective targets, being larger by about a factor of four. Full article

In this report, we compare two filter algorithms for extracting timing information using novel metallic magnetic calorimeter detectors, applied to the precision X-ray spectroscopy of highly charged ions in a storage ring. Accurate timing information is crucial when exploiting coincidence conditions for background suppression to obtain clean spectra. For X-rays emitted by charge-changing interactions between ions and a target, this is a well-established technique when relying on conventional semiconductor detectors that offer a good temporal resolution. However, until recently, such a coincidence scheme had never been realized with metallic magnetic calorimeters, which typically feature much longer signal rise times. In this report, we present optimized timing filter algorithms for this type of detector. Their application to experimental data recently obtained at the electron cooler of CRYRING@ESR at GSI, Darmstadt is discussed. Full article

In multiconfiguration Dirac–Hartree–Fock (MCDHF) calculations, there is a strong coupling between the localization of the orbital set and the configuration state function (CSF) expansion used to determine it. Furthermore, it is well known that an orbital set resulting from calculations, including CSFs describing core–core correlation and other effects, which aims to lower the weighted energies of a number of targeted states as much as possible, may be inadequate for building CSFs that account for correlation effects that are energetically unimportant but decisive for computed properties, e.g., hyperfine structures or transition rates. This inadequacy can be traced in irregular or oscillating convergence patterns of the computed properties as functions of the increasing orbital set. In order to alleviate the above problems, we propose a procedure in which the orbital set is obtained by merging several separately optimized, and mutually non-orthogonal, orbital sets. This computational strategy preserves the advantages of capturing electron correlation on the total energy through the variational MCDHF method and allows to target efficiently the correlation effects on the considered property. The orbital sets that are merged are successively orthogonalized against each other to retain orthonormality. The merged orbital set is used to build CSFs that efficiently lower the energy and also adequately account for the correlation effects that are important for the property. We apply the procedure to compute the hyperfine structure constants for the $1s^{2}2s{}^2{S}_{1/2}$ and $1s^{2}2p{}^2{P}_{1/2,3/2}^o$ states in ${}^7$Li and show that it leads to considerably improved convergence patterns with respect to the increasing orbital set compared to standard calculations based on a single orbital set, energy-optimized in the variational procedure. The perspectives of the new procedure are discussed in a broader context in the summary. Full article

Polarons are quasiparticles relevant across many fields in physics: from condensed matter to atomic physics. Here, we study the quasiparticle properties of two-dimensional strongly interacting Bose polarons in atomic Bose–Einstein condensates and polariton gases. Our studies are based on the non-self consistent T-matrix approximation adapted to these physical systems. For the atomic case, we study the spectral and quasiparticle properties of the polaron in the presence of a magnetic Feshbach resonance. We show the presence of two polaron branches: an attractive polaron, a low-lying state that appears as a well-defined quasiparticle for weak attractive interactions, and a repulsive polaron, a metastable state that becomes the dominant branch at weak repulsive interactions. In addition, we study a polaron arising from the dressing of a single itinerant electron by a quantum fluid of polaritons in a semiconductor microcavity. We demonstrate the persistence of the two polaron branches whose properties can be controlled over a wide range of parameters by tuning the cavity mode. Full article

X-ray emission as a result of radiative recombination (RR) at threshold energies in the electron cooler of CRYRING@ESR was investigated for decelerated bare lead ions at a beam energy of 10 MeV/u. The recorded spectra are dominated by characteristic transitions in Pb${}^{81+}$, namely, the Lyman, Balmer and Paschen series, as a result of decay cascades from high-n states that are preferentially populated by the RR processes. In addition, a rigorous theoretical model is applied for the interpretation of measured X-ray spectra, and shows good agreement. Full article

In electron–ion collisions, recombination processes play a very important role. Recently, multielectron recombination processes have been highly investigated, as they carry information about electron–electron interaction. Among them, the most basic process is dielectronic recombination (DR). The research presented here was conducted using an EBIT at Jagiellonian University. Using X-ray spectroscopy, we conducted research into K-LL, K-LM, K-LN, K-LO and K-MM resonances. The aim of this study was to investigate the contribution of the intershell higher-order recombination processes in collected spectra. A good resolution for the K-LL DR spectrum made it possible to distinguish structures for He- up to C-like Ar ions. Full article