jj to LSJ Transformation for Configuration State Functions with an Arbitrary Number of Open Shells

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.

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Publication Details

Journal
Atoms
Published
2026-03-09
DOI
https://doi.org/10.3390/atoms14030020
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
0.00
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article

jj to LSJ Transformation for Configuration State Functions with an Arbitrary Number of Open Shells

Gediminas Gaigalas
Atoms
Atomic and Molecular Physics
article

jj to LSJ Transformation for Configuration State Functions with an Arbitrary Number of Open Shells

Gediminas Gaigalas
article en

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 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.

AtomsVol. 14(3)
Vilnius University (LT)
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Openalex Percentile: Top 27%
Atomic and Molecular Physics
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