"Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, ..."

Martin Kleinschmidt, Jörg Tatchen, Christel M. Marian (2002)

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DOI: 10.1002/JCC.10064

access: closed

type: Journal Article

metadata version: 2020-04-01

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Martin Kleinschmidt, Jörg Tatchen, Christel M. Marian:
Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene. J. Comput. Chem. 23(8): 824-833 (2002)

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