Pair-Correlated Configuration Interaction Method and Its Approximate Version for Solving the Electron Correlation Problem in Molecules

International Journal of Quantum Chemistry

Volumn 78, Issue 3, 2000, Pages 153-167

  Li, Shuhua ^a   Ma, Jing ^a   Jiang, Yuansheng ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Configuration interaction; Electron correlation; Electron pair; Pariser Parr Pople Hamiltonian; Polyene

Indexed keywords

EID: 0345666795     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)78:3<153::AID-QUA3>3.0.CO;2-1     Document Type: Article

References (42)

1. Shavitt, I. In Methods of Electronic Structure Theory; Schaefer III, H. F., Ed.; Plenum: New York, 1977.
2. Wahl, A. C.; Das, G. In Methods of Electronic Structure Theory; Schaefer III, H. F., Ed.; Plenum: New York, 1977.
3. Roos, B. O. In Methods in Computational Physics; Vol. 1, Diercksen, G. H. F.; Wilson, S., Eds.; Reidel: Dordrecht, 1983.
4. Shepard, R. Adv Chem Phys 1987, 69, 63.
5. Roos, B. O. Adv Chem Phys 1987, 69, 399.
6. Pople, J. A.; Binkley, J. S.; Seeger, R. Int J Quant Chem Symp 1976, 10, 1.
7. Møller, C.; Plesset, M. S. Phys Rev 1936, 46, 618.
8. Cizek, J. Adv Chem Phys 1969, 14, 35.
9. Paldus, J.; Cizek, J. Adv Quant Chem 1975, 9, 105.
10. Bartlett, R. J. Ann Rev Phys Chem 1981, 32, 359.
11. Hose, G.; Kaldor, U. J Phys B 1979, 12, 3827.
12. Shepard, M. G.; Freed, K. F. J Chem Phys 1981, 75, 4525.
13. Kucharski, S.; Bartlett, R. J. Int J Quant Chem Symp 1988, 22, 383.
14. Pal, S.; Rittby, M.; Bartlett, R. J.; Dinha, D.; Mukherjee, D. J Chem Phys 1988, 88, 4357.
15. Stanton, J. F.; Bartlett, R. J.; Rittby, C. M. E. J Chem Phys 1992, 97, 5560.
16. Paldus, J. In Methods in Computational Molecular Physics; Vol. 1, Wilson, S.; Diercksen, G. H. F., Eds.; Plenum: New York, 1992.
17. Hurley, A. C.; Lennard-Jones, J.; Pople, J. A. Proc Roy Soc London A 1953, 220, 446.
18. Ohmine, I.; Karplus, M.; Schulten, K. J Chem Phys 1978, 68, 2298.
19. Edmiston, C.; Ruedenberg, K. Rev Mod Phys 1963, 35, 457.
20. Foster, J. M.; Boys, S. F. Rev Mod Phys 1960, 32, 300.
21. Pipek, J.; Mezey, P. G. J Chem Phys 1989, 90, 4916.
22. Røeggen, I. Int J Quant Chem 1981, 20, 817.
23. Røeggen, I. J Chem Phys 1983, 79, 5520.
24. Hurley, A. C. Electron Correlation in Small Molecules; Academic: London, 1976.
25. Bobrowitcz, F. W.; Goddard III, W. A. In Modern Theoretical Chemistry; Vol. 3, Schaefer III, H. F., Ed.; Plenum: New York, 1977.
26. McWeeny, R. Proc Roy Soc London A 1959, 253, 242.
27. McWeeny, R. Rev Mod Phys 1960, 32, 335.
28. Miller, K. J.; Ruedenberg, K. J Chem Phys 1968, 48, 3444.
29. Liu, B. Int J Quant Chem 1971, 5S, 123.
30. Robb, M. A.; Csizmadia, I. C. Int J Quant Chem 1971, 5, 605.
31. Silver, D. M.; Mehler, E. L.; Ruedenberg, K. J Chem Phys 1970, 52, 1181.
32. Røeggen, I. Int J Quant Chem 1982, 22, 149.
33. Røeggen, I. Chem Phys Lett 1982, 92, 398.
34. Røeggen, I. J Chem Phys 1983, 78, 2485.
35. Røeggen, I. J Chem Phys 1986, 85, 262.
36. Røeggen, I. J Chem Phys 1986, 85, 969.
37. Mukhopadhyay, D.; Hayden, G. W.; Soos, Z. G. Phys Rev B 1995, 51, 9476.
38. Chandross, M.; Shimoi, Y.; Mazumdar, S. Chem Phys Lett 1997, 280, 85.
39. Lanczos, C. J Res Nat Bur Stand 1950, 45, 255.
40. Löwdin, P.-O. Adv Chem Phys 1959, 2, 207.
41. Paldus, J.; Boyle, M. J. Int J Quant Chem 1982, 22, 1281.
42. Wilson, S.; Jankowski, K.; Paldus, J. Int J Quant Chem 1985, 28, 525.