Assessment of minimal active space CASSCF-SO methods for calculation of atomic Slater-Condon and spin-orbit coupling parameters in d- and f-block ions.

Summary

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Authors: Alvin J Walisinghe; Nicholas F. Chilton

Journal title: Dalton Transaction

Journal publisher: Royal Society of Chemistry

Published year: 2021

DOI identifier: 10.1039/d1dt02346b

ISSN: 1477-9234