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Treating Spin-Orbit Coupling and Spin-Spin Coupling in the Framework of the Iterative Configuration Expansion

Lucas Lang1, Vijay Gopal Chilkuri1, Frank Neese1

  • 1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

Journal of Chemical Theory and Computation
|June 23, 2025
PubMed
Abstract

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