Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene

Martin Kleinschmidt, Jörg Tatchen, Christel M. Marian. Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene. Journal of Computational Chemistry, 23(8):824-833, 2002. [doi]

Abstract

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