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Development and Application of a Complete Active Space Spin-Orbit Configuration Interaction Program Designed for

Tilmann Bodenstein1,2, Andreas Heimermann3, Karin Fink4

  • 1Hylleraas Centre for Quantum Molecular Sciences, Dpt. of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315, Oslo, Norway.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|September 10, 2021
PubMed

Keywords:
ab initio methodsmagnetic propertiesmolecole magnetsspin-orbit couplingtransition metal complexes

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