Choice of spin-orbit correction terms in Gaussian model chemistries

Journal of Computational Chemistry

Volumn 22, Issue 13, 2001, Pages 1552-1556

  Duke, Brian J ^a  

^a CHARLES DARWIN UNIVERSITY   (Australia)

Author keywords

Gaussian 2 theory; Model chemistries; Spin orbit terms

Indexed keywords

EID: 0035478111     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1108     Document Type: Article

References (4)

1. Curtiss, L. A.; McGrath, M. P.; Blaudeau, J.-P.; Davis, N. E.; Binning, R. C., Jr.; Radom, L. J Chem Phys 1995, 103, 6104.
2. Blaudeau, J.-P.; McGrath, M. P.; Curtiss, L. A.; Radom, L. J Chem Phys 1997, 107, 5016.
3. Blaudeau, J.-P.; Curtiss, L. A. Int J Quantum Chem 1997, 61, 943.
4. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J Chem Phys 1999, 110, 4703.