Modifications of virtual orbitals in the limited CI calculations for electron-rich molecules

International Journal of Quantum Chemistry

Volumn 60, Issue 5, 1996, Pages 1027-1036

  Wasilewski, J ^a   Zelek, S ^a   Wierzbowska, Malgorzata ^a  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0010679589     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)60:5<1027::AID-QUA9>3.0.CO;2-2     Document Type: Article

References (7)

1. J. Wasilewski, Int. J. Quantum Chem. 39, 649 (1991).
2. H. P. Kelly, Phys. Rev. 136, B896 (1964).
3. C. W. Bauschlicher, Jr., J. Chem. Phys. 72, 880 (1980).
4. W. Meyer, in Methods of Electronic Structure Theory, H. F. Schaefer III, Ed. (Plenum Press, New York, 1977), p. 413.
5. T. H. Dunning and P. J. Hay, in Methods of Electronic Structure Theory, H. F. Schaefer III, Ed. (Plenum Press, New York, 1977), p. 1.
6. J. Wasilewski and S. Zelek, in preparation.
7. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S.T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, Jr., J. Comp. Chem. 14, 1347 (1993).