Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene
Version of Record online: 12 APR 2002
Copyright © 2002 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Special Issue: Relativistic Methods in Quantum Chemistry
Volume 23, Issue 8, pages 824–833, June 2002
How to Cite
Kleinschmidt, M., Tatchen, J. and Marian, C. M. (2002), Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene. J. Comput. Chem., 23: 824–833. doi: 10.1002/jcc.10064
- Issue online: 12 APR 2002
- Version of Record online: 12 APR 2002
- Manuscript Accepted: 20 DEC 2001
- Manuscript Received: 7 AUG 2001
- Deutsche Forschungsgemeinschaft
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