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Atoms
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Computational Atomic Physics in Astrophysics
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Computational Atomic Physics in Astrophysics

A special issue of Atoms (ISSN 2218-2004).

Deadline for manuscript submissions: 31 May 2026 | Viewed by 1773

Special Issue Editors

Dr. Jerome Deprince

E-Mail Website
Guest Editor
Atomic Physics and Astrophysics, University of Mons (UMONS), Place du Parc 20, 7000 Mons, Belgium
Interests: atomic data; radiative and collisional processes; astrophysics; kilonova; opacity
Dr. Patrick Palmeri

E-Mail Website
Guest Editor
Atomic Physics and Astrophysics, University of Mons (UMONS), Place du Parc 20, 7000 Mons, Belgium
Interests: atomic data; radiative and collisional processes; astrophysics; kilonova; opacity

Special Issue Information

Dear Colleagues,

Atomic physics plays a crucial role in interpreting the rich spectra observed in various astrophysical environments—from stellar atmospheres and interstellar clouds to accretion disks, supernova remnants, and kilonova ejecta. As observational capabilities continue to expand, especially with next-generation ground- and space-based telescopes, the demand for accurate, comprehensive, and versatile atomic data has never been higher, both in terms of quality and quantity. Computational atomic physics has become an indispensable tool for generating such data, enabling detailed modeling of radiative and collisional processes under extreme physical conditions often inaccessible to laboratory experiments.

We are pleased to invite you to contribute to the Special Issue "Computational Atomic Physics in Astrophysics" in Atoms. This Special Issue aims to highlight recent advances in computational methods and their applications to atomic processes relevant to astrophysical modeling. It is fully aligned with the journal’s scope, which emphasizes theoretical and computational developments in atomic and molecular physics and their interdisciplinary applications.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) atomic structure calculations, electron- and ion-impact processes, radiative transition modeling, data generation for plasma codes, and the development of computational tools and databases for astrophysical applications.

We look forward to receiving your contributions.

Dr. Jerome Deprince
Dr. Patrick Palmeri
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Atoms is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • atomic data
  • radiative processes
  • collisional processes
  • astrophysics
  • atomic computations

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

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Research

20 pages, 361 KB  
Article
Study of the Hyperfine Structure of Sr II, Ba I and Ba II: An MCDHF Approach for Modeling the Low-Lying Levels
by Lorenzo Nezosi, Lucas Maison, Patrick Palmeri, Per Jönsson and Michel Godefroid
Atoms 2026, 14(3), 17; https://doi.org/10.3390/atoms14030017 - 5 Mar 2026
Viewed by 516
Abstract
Using the Multiconfiguration Dirac–Hartree–Fock method as implemented in the General Relativistic Atomic Structure Package, the magnetic dipole and electric quadrupole hyperfine structure constants were determined for the ground and first excited levels of 135,137Ba II isotopes, as well as for 137Ba [...] Read more.
Using the Multiconfiguration Dirac–Hartree–Fock method as implemented in the General Relativistic Atomic Structure Package, the magnetic dipole and electric quadrupole hyperfine structure constants were determined for the ground and first excited levels of 135,137Ba II isotopes, as well as for 137Ba I and 87Sr II, to assess the robustness of the developed model. This study builds upon and extends previous investigations by examining the levels involved in resonance lines, with the aim of resolving persistent discrepancies in the hyperfine structure of 137Ba II and 87Sr II. New code developments such as the use of natural orbitals, as well as the addition of polarization effects and Configuration State Function Generators, as implemented in GRASPG, were tested for these heavy elements. The developed strategy allowed us to achieve encouraging results that satisfactorily agree with experiments for all studied levels but D5/22 in the 137Ba II isotope. This disagreement was also observed in 135Ba II isotope as well as in 87Sr II. With two valence electrons, 137Ba I is definitely more complex, requiring a multireference approach. Even with the latter, the theory–observation disagreement observed for the hyperfine structure of the low-lying levels remains large in comparison with the alkali-like systems. Possible ongoing developments to remediate this issue are discussed in the conclusions. Full article
(This article belongs to the Special Issue Computational Atomic Physics in Astrophysics)
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13 pages, 1962 KB  
Article
Dielectronic Recombination Strengths and Plasma Rate Coefficients of Lithium-like Argon Ions: Theory and Experiment
by Houke Huang, Zhongkui Huang, Yang Yuan, Hanbing Wang, Zeshan Muhammad, Chang Liu, Weiqiang Wen, Linfan Zhu, Xinwen Ma and Stephan Fritzsche
Atoms 2026, 14(2), 13; https://doi.org/10.3390/atoms14020013 - 13 Feb 2026
Viewed by 697
Abstract
Dielectronic recombination (DR) is widely recognized as a fundamental atomic process in many astrophysical and laboratory plasmas, where it plays a crucial role in determining ionization balance and level populations over a broad temperature range. Reliable DR resonance strengths and plasma rate coefficients [...] Read more.
Dielectronic recombination (DR) is widely recognized as a fundamental atomic process in many astrophysical and laboratory plasmas, where it plays a crucial role in determining ionization balance and level populations over a broad temperature range. Reliable DR resonance strengths and plasma rate coefficients for such plasma modeling can be computed using the Jena Atomic Calculator (JAC)—a relativistic code based on the multiconfiguration Dirac–Hartree–Fock (MCDHF) method. In this work, we investigate the DR of Li-like Ar15+ ions in their ground state (2s), focusing on resonances associated with the fine-structure core excitations 2s1/2→2p1/2,3/2. The resulting fine-structure-resolved DR resonance strengths and plasma rate coefficients are in good agreement with recent high-resolution DR measurements of Ar15+ ions performed at the Main Cooler Storage Ring (CSRm) in Lanzhou, China. These results provide a stringent benchmark for JAC calculations and support their applicability in plasma modeling. Full article
(This article belongs to the Special Issue Computational Atomic Physics in Astrophysics)
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