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An Introduction to Relativistic Theory as Implemented in GRASP

Jönsson, Per ; Godefroid, Michel ; Gaigalas, Gediminas ; Ekman, Jörgen ; Grumer, Jon ; Li, Wenxian ; Li, Jiguang ; Brage, Tomas LU ; Grant, Ian P. and Bieroń, Jacek , et al. (2023) In Atoms 11(1).
Abstract

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:... (More)

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.

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publication status
published
subject
keywords
angular integration, atomic properties, atomic wave function, ATOMS, configuration interaction, configuration state function, finite difference numerical methods, GRASP, multiconfigurational Dirac–Hartree–Fock, relativistic atomic structure
in
Atoms
volume
11
issue
1
article number
7
publisher
MDPI AG
external identifiers
  • scopus:85146498485
ISSN
2218-2004
DOI
10.3390/atoms11010007
language
English
LU publication?
yes
id
596dbdba-4f30-4b8c-843a-ee491382d3c2
date added to LUP
2024-01-12 12:28:30
date last changed
2024-01-12 12:30:39
@article{596dbdba-4f30-4b8c-843a-ee491382d3c2,
  abstract     = {{<p>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.</p>}},
  author       = {{Jönsson, Per and Godefroid, Michel and Gaigalas, Gediminas and Ekman, Jörgen and Grumer, Jon and Li, Wenxian and Li, Jiguang and Brage, Tomas and Grant, Ian P. and Bieroń, Jacek and Fischer, Charlotte Froese}},
  issn         = {{2218-2004}},
  keywords     = {{angular integration; atomic properties; atomic wave function; ATOMS; configuration interaction; configuration state function; finite difference numerical methods; GRASP; multiconfigurational Dirac–Hartree–Fock; relativistic atomic structure}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{MDPI AG}},
  series       = {{Atoms}},
  title        = {{An Introduction to Relativistic Theory as Implemented in GRASP}},
  url          = {{http://dx.doi.org/10.3390/atoms11010007}},
  doi          = {{10.3390/atoms11010007}},
  volume       = {{11}},
  year         = {{2023}},
}