Future Directions in Atomic Physics Inspired by the Pioneering Work of Charlotte Froese Fischer and Ian Philip Grant

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

Deadline for manuscript submissions: 15 December 2026 | Viewed by 2357

Special Issue Editors


E-Mail Website
Guest Editor
Institute of Modern Physics, Fudan University, Shanghai, China
Interests: atomic structure; atomic collisions

E-Mail Website
Guest Editor
School of Physics, The University of Melbourne, Melbourne, VIC 3010, Australia
Interests: relativistic atomic and molecular physics; quantum electrodynamics; X-ray imaging

E-Mail Website
Guest Editor
Instytut Fizyki Teoretycznej, Uniwersytet Jagielloński, 30-348 Kraków, Poland
Interests: computational atomic physics; hyperfine structure; isotope shift
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue invites contributions from friends, students, postdocs, and collaborators of Charlotte Froese Fischer and Ian Philip Grant, the world-leading researchers in theoretical atomic physics and the pioneering authors of widely used computer programs, including the non-relativistic multi-configuration Hartree–Fock code ATSP (ATomic Structure Program), and the relativistic multi-configuration Dirac–Hartree–Fock program GRASP (General-purpose Relativistic Atomic Structure Program).

Also welcome are contributions (original articles as well as reviews) from users of these and other computer programs, as well as from authors and developers of various ab initio methods, computer programs, computation approaches, and calculations in the theoretical description of atomic structures, as well as investigations of continuum processes in atomic physics.

The focus of this Special Issue is on the effects of relativity and electron correlations in electronic structures of atoms and ions that are at the forefront of contemporary atomic physics.

This Special Issue aims to collect papers that focus on the development of ab initio methods, current advancements in ab initio calculations, and applications of the theory of complex atoms in the field of atomic physics. In recent years, many novel ab initio techniques have been developed to improve these calculations, which in turn extended the range of applications and improved support of theoretical and experimental studies in a wide number of fields, from fundamental physics, nuclear physics, plasma physics, astrophysics, to energy research.

Many of these scientific advances represent the legacy of Charlotte and Ian, who have inspired, guided, and advised us over the last half-century. They initiated, coordinated, and supervised many joint projects, most importantly, the projects involving the development of computer codes for the study of atomic properties. Charlotte and Ian will be dearly missed by all of us.

Dr. Ran Si
Dr. Harry Quiney
Dr. Jacek Bieroń
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

  • theoretical atomic physics
  • electronic structure of atoms
  • electron correlation
  • atomic structure calculations
  • variational methods
  • multi-configuration Hartree–Fock
  • multi-configuration Dirac–Hartree–Fock
  • Dirac theory
  • GRASP
  • ATSP
  • perturbation methods
  • light, medium, heavy, and superheavy atoms and ions
  • complex atoms
  • atomic spectra
  • transition probabilities
  • isotope shift
  • hyperfine structure
  • continuum
  • electron collisions with atoms and ions
  • applications of atomic physics

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

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

Published Papers (4 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

15 pages, 441 KB  
Article
Rci-q: An Improved QED Correction Model for the Grasp2018 Package
by Karol Kozioł
Atoms 2026, 14(5), 35; https://doi.org/10.3390/atoms14050035 - 24 Apr 2026
Viewed by 230
Abstract
The Rci-Q package is an extension to the Grasp2018 suite, improving the model of estimating the quantum electrodynamics corrections to the energy levels. The Flambaum–Ginges radiative potential method is used to estimate the leading self-energy correction to electron energy in many electron [...] Read more.
The Rci-Q package is an extension to the Grasp2018 suite, improving the model of estimating the quantum electrodynamics corrections to the energy levels. The Flambaum–Ginges radiative potential method is used to estimate the leading self-energy correction to electron energy in many electron atoms. The new fitting prefactors to parameterize radiative potential are presented. The correction to self-energy originating from finite nucleus size is included. The Wichmann–Kroll part of the vacuum polarization potential is also implemented. Full article
Show Figures

Figure 1

97 pages, 1163 KB  
Article
A Program Library for Computing Pure Spin-Angular Coefficients for One- and Two-Particle Operators in Non-Relativistic Atomic Theory
by Gediminas Gaigalas
Atoms 2026, 14(4), 29; https://doi.org/10.3390/atoms14040029 - 1 Apr 2026
Cited by 2 | Viewed by 490
Abstract
A program library, libang77, for computing pure spin-angular coefficients for any one- and scalar two-particle operator is presented. The method is based on the combination of the second quantization and quasi-spin techniques with angular momentum theory and the method of irreducible tensorial sets. [...] Read more.
A program library, libang77, for computing pure spin-angular coefficients for any one- and scalar two-particle operator is presented. The method is based on the combination of the second quantization and quasi-spin techniques with angular momentum theory and the method of irreducible tensorial sets. A non-relativistic approach is used, in which relativistic corrections may be included in the Breit–Pauli approximation. This program library, libang77, is integrated into the Atomic Structure Package ATSP2K [ATSP2K, C. Froese Fischer, G. Tachiev, G. Gaigalas, and M.R. Godefroid, Comput. Phys. Commun. (2007). DOI: 10.1016/j.cpc.2007.01.006], but it can be implemented in other program packages too. Full article
Show Figures

Figure 1

28 pages, 491 KB  
Article
Extension of an Efficient Approach for Spin-Angular Integrations in Atomic Structure Calculations
by Gediminas Gaigalas
Atoms 2026, 14(3), 21; https://doi.org/10.3390/atoms14030021 - 9 Mar 2026
Cited by 1 | Viewed by 460
Abstract
In this study, an extension of the general method [G. Gaigalas, Z. Rudzikas, C. Froese Fischer, J. Phys. B, At. Mol. Phys. (1997). DOI: 10.1088/0953-4075/30/17/006] is described for finding algebraic expressions of the spin-angular parts of the reduced matrix elements of any one- [...] Read more.
In this study, an extension of the general method [G. Gaigalas, Z. Rudzikas, C. Froese Fischer, J. Phys. B, At. Mol. Phys. (1997). DOI: 10.1088/0953-4075/30/17/006] is described for finding algebraic expressions of the spin-angular parts of the reduced matrix elements of any one- and two-particle operator for an arbitrary number of shells in an atomic configuration. This extension is related, at first, to a change in the definition of tensor structure, where a non-scalar space with respect to l and s for any two-particle operator acts on four different shells. This leads to more efficient expressions for recoupling matrices and amplitudes, which are presented in the paper. In addition, the paper presents new expressions for some of the recoupling matrices, in which 6j- and 9j-coefficients are summed up algebraically. All this leads to a significantly simpler and faster calculation of the spin-angular parts of any non-scalar two-particle operator. Full article
Show Figures

Figure 1

12 pages, 324 KB  
Article
jj to LSJ Transformation for Configuration State Functions with an Arbitrary Number of Open Shells
by Gediminas Gaigalas
Atoms 2026, 14(3), 20; https://doi.org/10.3390/atoms14030020 - 9 Mar 2026
Viewed by 546
Abstract
This paper presents a methodology that allows for calculated energy levels and other atomic characteristics in relativistic atomic theory, i.e., using the jj-coupling scheme, to be identified in terms of LSJ-coupling characteristics. The paper begins with outlining the [...] Read more.
This paper presents a methodology that allows for calculated energy levels and other atomic characteristics in relativistic atomic theory, i.e., using the jj-coupling scheme, to be identified in terms of LSJ-coupling characteristics. The paper begins with outlining the general principles for effectively addressing this problem. Furthermore, it provides a general expression that enables such identification when the atomic state function consists of any number of configuration state functions, each with any number of open shells, and explains how this expression was obtained. The methodology developed in this paper has been successfully implemented in the General Relativistic Atomic Structure Package and can be applied to other similar packages. Full article
Show Figures

Figure 1

Back to TopTop