Localized correlation treatment using natural bond orbitals

Chemical Physics Letters

Volumn 367, Issue 1-2, 2003, Pages 80-89

  Flocke, N ^a   Bartlett, R J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037413329     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01636-6     Document Type: Article

References (23)

1. O. Sinanoǧlu, Adv. Chem. Phys. 6 (1964) 315.
2. R.K. Nesbet, Adv. Chem. Phys. 9 (1965) 321.
3. M. Häser, J. Almöf, J. Chem. Phys. 96 (1992) 489.
4. P.E. Maslen, M. Head-Gordon, Chem. Phys. Lett. 283 (1998) 102.
5. G.E. Scuseria, P.Y. Ayala, J. Chem. Phys. 111 (1999) 8330.
6. M. Schütz, H.J. Werner, J. Chem. Phys. 114 (2001) 661.
7. S.F. Boys, Rev. Mod. Phys. 32 (1960) 296.
8. C. Edminston, K. Ruedenberg, Rev. Mod. Phys. 35 (1963) 457.
9. J. Pipek, P.G. Mezey, J. Chem. Phys. 90 (1989) 4916.
10. S. Saebø, P. Pulay, Annu. Rev. Phys. Chem. 44 (1993) 213.
11. W.D. Laidig, G.D. Purvis III, R.J. Bartlett, Int. J. Quantum Chem. Symp. 6 (1982) 561.
12. W.D. Laidig, G.D. Purvis III, R.J. Bartlett, Chem. Phys. Lett. 97 (1983) 209.
13. W.D. Laidig, G.D. Purvis III, R.J. Bartlett, J. Phys. Chem. 89 (1985) 2161.
14. A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88 (1988) 899.
15. F. Weinhold, in: P.v.R. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer III, P.R. Schreiner (Eds.), Encyclopedia of Computational Chemistry, vol. 3, Wiley, Chichester, UK, 1998, pp. 1792-1811.
16. A.V. Nemukhin, F. Weinhold, J. Chem. Phys. 97 (1992) 1095.
17. A.E. Reed, R.B. Weinstock, F. Weinhold, J. Chem. Phys. 83 (1985) 735.
18. J.P. Foster, F. Weinhold, J. Am. Chem. Soc. 102 (1980) 7211.
19. D.J. Thouless, The Quantum Mechanics of Many-Body Systems, Academic Press, New York, 1961.
20. J. Paldus, in: S. Wilson, G.H.F. Diercksen (Eds.), Methods in Computational Molecular Physics, Series B, vol. 293, 1991.
21. QCPACK, a highly modular Quantum Chemical PACK-age written by Norbert Flocke. The package performs standard ab-initio calculations and has SCF,CI and CC capabilities together with NAO and NBO generation programs.
22. T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
23. J.E. Carpenter, F. Weinhold, J. Am. Chem. Soc. 110 (1988) 368.