https://doi.org/10.1140/epjd/s10053-024-00828-4
Regular Article - Atomic Physics
Orthogonal operators: extension to hyperfine structure and equivalent p- and f-electrons
1
API, University of Amsterdam, Science Park 904, 1098 XH, Amsterdam, The Netherlands
2
SRON, Netherlands Institute for Space Research, Niels Bohrweg 4, 2333 CA, Leiden, The Netherlands
Received:
25
January
2024
Accepted:
12
March
2024
Published online:
3
April
2024
Orthogonal operators are a next step in the semi-empirical description of complex spectra. Orthogonality yields optimal independence and thus least correlation between the operators. The increased stability of the fitting process is used to include higher-order many-body as well as fully relativistic effects. The calculated eigenvalues are frequently an order of magnitude more accurate with respect to a conventional semi-empirical approach. The resulting eigenvectors may not only be put to use to calculate transition probabilities and g-factors, but also to calculate hyperfine structure A and B constants. We illustrate our first steps in this field with two examples of first spectra of the iron group elements. The results are compared to current experimental hyperfine structure A-values while strong and weak points of the method are discussed. In particular to be able to deal with lanthanides and actinides, the orthogonal operator method is completed with the definition of operators for equivalent p- and f-electrons.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2024. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
