Wave-function optimization by least-squares fitting of the exact wave function sampled by quantum Monte Carlo

International Journal of Quantum Chemistry

Volumn 57, Issue 3, 1996, Pages 321-325

  Bianchi, R ^a   Bressanini, D ^a   Cremaschi, P ^a   Mella, M ^a   Morosi, G ^a  

^a CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0008821206     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1996)57:3<321::aid-qua5>3.0.co;2-%23     Document Type: Article

References (24)

1. H. M. James and A. S. Coolidge, Phys. Rev. 51, 860 (1937).
2. W. Kutzelnigg and V. H. Smith, J. Chem. Phys. 41, 896 (1964); V. H. Smith and W. Kutzelnigg, Ark. Fys. 38, 309 (1968); V. H. Smith, Nuovo Cim. 48B, 443 (1967).
3. W. Kutzelnigg and V. H. Smith, J. Chem. Phys. 41, 896 (1964); V. H. Smith and W. Kutzelnigg, Ark. Fys. 38, 309 (1968); V. H. Smith, Nuovo Cim. 48B, 443 (1967).
4. W. Kutzelnigg and V. H. Smith, J. Chem. Phys. 41, 896 (1964); V. H. Smith and W. Kutzelnigg, Ark. Fys. 38, 309 (1968); V. H. Smith, Nuovo Cim. 48B, 443 (1967).
5. K. A. Brueckner, Phys. Rev. 96, 508 (1954).
6. R. K. Nesbet, Phys. Rev. 109, 1632 (1958).
7. (a) N. C. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari, and G. W. Trucks, Chem. Phys. Lett. 167, 115 (1990);
8. (b) R. Kobayashi, N. C. Handy, R. D. Amos, G. W. Trucks, M. Frisch, and J. A. Pople, J. Chem. Phys. 95, 6723 (1991).
9. T. Koga, Y. Kasai, and A. J. Thakkar, Int. J. Quantum Chem. 46, 689 (1993).
10. C. L. Pekeris, Phys. Rev. 115, 1216 (1959).
11. A. Mukherji and M. Karplus, J. Chem. Phys. 38, 44 (1963).
12. (a) D. Ceperly and B. Alder, Science 231, 555 (1986);
13. (b) W. A. Lester, Jr. and B. L. Hammond, Annu. Rev. Phys. Chem. 41, 283 (1990);
14. (c) B. H. Wells, in Methods in Computational Chemistry, S. Wilson, Ed. (Plenum Press, New York, 1987), Vol. 1, p. 311.
15. (a) J. B. Anderson, C. A. Traynor, and B. M. Boghosian, J. Chem. Phys. 95, 7418 (1991);
16. (b) S. Zhang and M. H. Kalos, Phys. Rev. Lett. 67, 3074 (1991);
17. (c) R. Bianchi, D. Bressanini, P. Cremaschi, and G. Morosi, J. Chem. Phys. 98, 7204 (1993).
18. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, Phys. Rev. Lett. 60, 1719 (1988).
19. E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables (Academic Press, New York, 1974).
20. J. B. Anderson, J. Chem. Phys. 63, 1499 (1975).
21. H. Flyvbjerg and H. G. Petersen, J. Chem. Phys. 91, 461 (1989).
22. T. Koga, J. Chem. Phys. 96, 1276 (1992).
23. S. A. Alexander, R. D. Coldwell, G. Aissing, and A. J. Thakkar, Int. J. Quantum Chem. Symp. 26, 213 (1992).
24. S. Zhang and M. H. Kalos, J. Stat. Phys. 70, 515 (1993), and references therein.