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Atoms, Volume 4, Issue 4 (December 2016)

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Research

Open AccessArticle Evaluation of State-Resolved Reaction Probabilities and Their Application in Population Models for He, H, and H2
Atoms 2016, 4(4), 26; doi:10.3390/atoms4040026
Received: 6 July 2016 / Revised: 2 September 2016 / Accepted: 21 September 2016 / Published: 29 September 2016
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Abstract
Population models are a prerequisite for performing qualitative analysis of population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Models for atomic helium and hydrogen as well as molecular hydrogen in low-pressure plasmas are introduced. The cross-sections
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Population models are a prerequisite for performing qualitative analysis of population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Models for atomic helium and hydrogen as well as molecular hydrogen in low-pressure plasmas are introduced. The cross-sections and transition probabilities used as input in the atomic models are known very accurately, and thus a benchmark of these models against experiments is very successful. For H2, in contrast, significant deviations exist between reaction probabilities taken from different literature sources. The reason for this is the more complex internal structure of molecules compared to atoms. Vibrationally resolved models are applied to demonstrate how these deviations affect the model results. Steps towards a consistent input data set are presented: vibrationally resolved Franck–Condon factors, transition probabilities, and ionization cross-sections have been calculated and are available now. Additionally, ro-vibrational models for selected transitions are applied successfully to low-density, low-temperature plasmas. For further improving the accuracy of population models for H2, however, it is necessary to establish a comprehensive data set for ro-vibrationally resolved excitation cross-sections based on the most recent calculation techniques. Full article
(This article belongs to the Special Issue Atomic and Molecular Data for Hydrogen and Helium in Fusion Plasma)
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Open AccessArticle Positron-Hydrogen Scattering, Annihilation, and Positronium Formation
Atoms 2016, 4(4), 27; doi:10.3390/atoms4040027
Received: 14 September 2016 / Revised: 19 October 2016 / Accepted: 26 October 2016 / Published: 4 November 2016
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Abstract
In previous papers (Bhatia A.K. 2007, 2012) a hybrid theory for the scattering of electrons from a hydrogenic system was developed and applied to calculate scattering phase shifts, Feshbach resonances, and photoabsorption processes. This approach is now being applied to the scattering of
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In previous papers (Bhatia A.K. 2007, 2012) a hybrid theory for the scattering of electrons from a hydrogenic system was developed and applied to calculate scattering phase shifts, Feshbach resonances, and photoabsorption processes. This approach is now being applied to the scattering of positrons from hydrogen atoms. Very accurate phase shifts, using the Feshbach projection operator formalism, were calculated previously (Bhatia A.K. et al. 1971 and Bhatia et al. 1974a). The present results, obtained using shorter expansions in the correlation function, along with long-range correlations in the Schrödinger equation, agree very well with the results obtained earlier. The scattering length is also calculated and the present results are compared with the previous results. Annihilation cross-sections, and positronium formation cross-sections, calculated in the distorted-wave approximation, are also presented. Full article
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Open AccessArticle Decoherence in Excited Atoms by Low-Energy Scattering
Atoms 2016, 4(4), 28; doi:10.3390/atoms4040028
Received: 13 June 2016 / Revised: 9 November 2016 / Accepted: 3 December 2016 / Published: 9 December 2016
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Abstract
We describe a new mechanism of decoherence in excited atoms as a result of thermal particles scattering by the atomic nucleus. It is based on the idea that a single scattering will produce a sudden displacement of the nucleus, which will be perceived
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We describe a new mechanism of decoherence in excited atoms as a result of thermal particles scattering by the atomic nucleus. It is based on the idea that a single scattering will produce a sudden displacement of the nucleus, which will be perceived by the electron in the atom as an instant shift in the electrostatic potential. This will leave the atom’s wave-function partially projected into lower-energy states, which will lead to decoherence of the atomic state. The decoherence is calculated to increase with the excitation of the atom, making observation of the effect easier in Rydberg atoms. We estimate the order of the decoherence for photons and massive particles scattering, analyzing several commonly presented scenarios. Our scheme can be applied to the detection of weakly-interacting particles, like those which may be the constituents of Dark Matter, the interaction of which was calculated to have a more prominent effect that the background radiation. Full article
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
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Open AccessFeature PaperArticle Rovibrationally Resolved Time-Dependent Collisional-Radiative Model of Molecular Hydrogen and Its Application to a Fusion Detached Plasma
Atoms 2016, 4(4), 29; doi:10.3390/atoms4040029
Received: 30 June 2016 / Revised: 10 October 2016 / Accepted: 8 November 2016 / Published: 20 December 2016
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Abstract
A novel rovibrationally resolved collisional-radiative model of molecular hydrogen that includes 4,133 rovibrational levels for electronic states whose united atom principal quantum number is below six is developed. The rovibrational X1Σg+ population distribution in a SlimCS fusion demo detached
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A novel rovibrationally resolved collisional-radiative model of molecular hydrogen that includes 4,133 rovibrational levels for electronic states whose united atom principal quantum number is below six is developed. The rovibrational X 1 Σ g + population distribution in a SlimCS fusion demo detached divertor plasma is investigated by solving the model time dependently with an initial 300 K Boltzmann distribution. The effective reaction rate coefficients of molecular assisted recombination and of other processes in which atomic hydrogen is produced are calculated using the obtained time-dependent population distribution. Full article
(This article belongs to the Special Issue Atomic and Molecular Data for Hydrogen and Helium in Fusion Plasma)
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Open AccessFeature PaperArticle Cross Sections and Rate Coefficients for Vibrational Excitation of HeH+ Molecule by Electron Impact
Atoms 2016, 4(4), 30; doi:10.3390/atoms4040030
Received: 11 November 2016 / Revised: 9 December 2016 / Accepted: 14 December 2016 / Published: 20 December 2016
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Abstract
Cross sections and thermally-averaged rate coefficients for vibration (de-)excitation of HeH+ by an electron impact are computed using a theoretical approach that combines the multi-channel quantum defect theory and the UK R-matrix code. Fitting formulas with a few numerical parameters are derived
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Cross sections and thermally-averaged rate coefficients for vibration (de-)excitation of HeH + by an electron impact are computed using a theoretical approach that combines the multi-channel quantum defect theory and the UK R-matrix code. Fitting formulas with a few numerical parameters are derived for the obtained rate coefficients. The interval of applicability of the formulas is from 40 to 10,000 K. Full article
(This article belongs to the Special Issue Atomic and Molecular Data for Hydrogen and Helium in Fusion Plasma)
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Open AccessFeature PaperArticle Spectrum and Energy Levels of Four-Times Ionized Yttrium (Y V)
Atoms 2016, 4(4), 31; doi:10.3390/atoms4040031
Received: 18 November 2016 / Accepted: 6 December 2016 / Published: 21 December 2016
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Abstract
The analysis of the spectrum of four-times-ionized yttrium, Y V, was extended to provide a large number of new spectrum lines and energy levels. The new analysis is based on spectrograms made with sliding-spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The
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The analysis of the spectrum of four-times-ionized yttrium, Y V, was extended to provide a large number of new spectrum lines and energy levels. The new analysis is based on spectrograms made with sliding-spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The measurements cover the region 184–2549 Å. The results revise levels for this spectrum by Zahid-Ali et al. (1975) and by Ateqad et al. (1984). Five hundred and seventy lines were classified as transitions between 23 odd-parity and 90 even-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5p, 5d, 6s configurations are now complete. Results for the 4s24p46d and 7s configurations are tentative. Ritz-type wavelengths were determined from the optimized energy levels, with uncertainties as low as ±0.0004 Å. The observed configurations were interpreted with Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 607,760 ± 300 cm−1 (75.353 ± 0.037 eV). Full article
(This article belongs to the Special Issue Spectra of Ionized Atoms: From Laboratory to Space)
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