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An Introduction to Relativistic Theory as Implemented in GRASP
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).ORCID iD: 0000-0001-6818-9637
Univ libre Bruxelles, Spect Quantum Chem & Atmospher Remote Sensing, B-1050 Brussels, Belgium..
Vilnius Univ, Inst Theoret Phys & Astron, Vilnius, Lithuania..ORCID iD: 0000-0003-0039-1163
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).
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2023 (English)In: Atoms, E-ISSN 2218-2004, Vol. 11, no 1, article id 7Article in journal (Refereed) Published
Abstract [en]

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. Jonsson, J. Bieron, 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.

Place, publisher, year, edition, pages
MDPI, 2023. Vol. 11, no 1, article id 7
Keywords [en]
ATOMS, GRASP, atomic properties, relativistic atomic structure, multiconfigurational Dirac-Hartree-Fock, finite difference numerical methods, angular integration, configuration interaction, atomic wave function, configuration state function
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:mau:diva-58382DOI: 10.3390/atoms11010007ISI: 000914435800001Scopus ID: 2-s2.0-85146498485OAI: oai:DiVA.org:mau-58382DiVA, id: diva2:1739813
Available from: 2023-02-27 Created: 2023-02-27 Last updated: 2023-09-08Bibliographically approved

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Jönsson, PerEkman, Jörgen

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