Ab initio calculation of spin-orbit interaction in polyatomic molecules using Gaussian-type wavefunctions
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference24 articles.
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1. Geometry Dependence of Spin–Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H2, or Organic Molecules;The Journal of Physical Chemistry A;2022-02-02
2. Role of the static correlations on the ultrafast spin dynamics of 3d molecular nano-magnets;Physica Scripta;2020-04-15
3. Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations;The Journal of Chemical Physics;2005-01-15
4. Spin-Orbit Coupling in Molecules;Reviews in Computational Chemistry;2001-12-26
5. Response Theory and Calculations of Spin-Orbit Coupling Phenomena in Molecules;Advances in Quantum Chemistry;1996
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