Improving CISD calculations by geminal-type reference states

Chemical Physics Letters

Volumn 312, Issue 2-4, 1999, Pages 221-228

  Kallay M ^a   Surjan P R ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042279709     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00964-1     Document Type: Article

References (25)

1. A.C. Hurley, Electron Correlation in Small Molecules, Academic, New York, 1976.
2. Kapuy E. Acta Phys. Hung. 27:1969;179.
3. P.R. Surján, Correlation and Localization, Topics in Current Chemistry, 203:63, 1999, Springer, Heidelberg, 1999.
4. Wilson S. J. Chem. Phys. 64:1976;1692.
5. Surján P.R. Phys. Rev. A. 30:1984;43.
6. Valdemoro C. Phys. Rev. A. 31:1985;2114.
7. Arai T. J. Chem. Phys. 33:1960;95.
8. Kutzelnigg W. J. Chem. Phys. 40:1964;3640.
9. A.C. Hurley, J. Lennard-Jones, J.A. Pople, Proc. Roy. Soc. (London) A 220 (1953) 446.
10. Boys S.F. Rev. Mod. Phys. 32:1960;296.
11. Polezzo S., Fantucci P. Mol. Phys. 36:1978;1835.
12. Surján P.R., Kállay M., Szabados Á. Int. J. Quantum Chem. 70:1998;571.
13. Carter E.A., Goddard III W.A. J. Chem. Phys. 88:1988;3132.
14. Faglioni F., Goddard III W.A. Int. J. Quantum Chem. 73:1999;1.
15. Stanton J.F., Bartlett R.J. J. Chem. Phys. 98:1993;7029.
16. Røeggen I. Int. J. Quantum Chem. 20:1981;817.
17. I. Røeggen, Correlation and Localization, Topics in Current Chemistry, vol. 203, Springer, Heidelberg, 1999, in press.
18. Szondy E., Szondy T. Acta Phys. Hung. 20:1966;253.
19. Hegyi M.G., Mezei M., Szondy T. Theor. Chim. Acta. 21:1971;168.
20. Ladányi K., Lengyel V., Szondy T. Theor. Chim. Acta. 21:1971;176.
21. Gdanitz R., Ahlrichs R. Chem. Phys. Lett. 43:1988;413.
22. Szalay P.G., Bartlett R.J. Chem. Phys. Lett. 214:1993;481.
23. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision B.2, Gaussian, Inc., Pittsburgh, PA, 1995.
24. Shepard E., Shavitt I., Pitzer R.M., Comeau D.C., Pepper M., Lischka H., Szalay P.G., Ahlrichs E., Brown F.B., Zhao J.-G. Int. J. Quantum Chem. S22:1988;149.
25. R.A. Poirier, M. Peterson, Program MUNGAUSS, Department of Chemistry, Memorial University, St. Johns, Canada, 1989.