Spin contamination in quantum Monte Carlo wave functions

Journal of Chemical Physics

Volumn 108, Issue 21, 1998, Pages 8838-8847

  Huang, Chien Jung ^a   Filippi, Claudia ^a,b   Umrigar, C J ^a  

^a Department of Obstetrics Gynecology   (United States)

^b University of Illinois at Urbana Champaign   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000167815     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476330     Document Type: Article

References (15)

1. C. Filippi and C. J. Umrigar, J. Chem. Phys. 105, 213 (1996).
2. J. S. Andrews, D. Jayatilaka, R. G. A. Bone, N. C. Handy, and R. D. Amos, Chem. Phys. Lett. 183, 423 (1991).
3. J. Baker, A. Scheiner, and J. Andzelm, Chem. Phys. Lett. 216, 380 (1993).
4. C. Huang, C. J. Umrigar, and M. P. Nightingale, J. Chem. Phys. 107, 3007 (1997).
5. R. L. Coldwell, Int. J. Quantum Chem., Symp. 11, 215 (1977).
6. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, in Computer Simulation Studies in Condensed Matter Physics; Recent Developments, edited by D. P. Landau and H. B. Schüttler (Springer-Verlag, Berlin, 1988); Phys. Rev. Lett. 60, 1719 (1988).
7. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, in Computer Simulation Studies in Condensed Matter Physics; Recent Developments, edited by D. P. Landau and H. B. Schüttler (Springer-Verlag, Berlin, 1988); Phys. Rev. Lett. 60, 1719 (1988).
8. T. Kato, Commun. Pure Appl. Math. 10, 151 (1957).
9. R. T. Pack and W. Byers-Brown, J. Chem. Phys. 45, 556 (1966).
10. P. O. Löwdin, Phys. Rev. 97, 1509 (1955).
11. E. R. Davidson, S. A. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A 44, 7071 (1991).
12. C. J. Umrigar and X. Gonze, in High Performance Computing and its Application to the Physical Sciences, Proceedings of the Mardi Gras '93 Conference, edited by D. A. Browne et al. (World Scientific, Singapore, 1993); C. Filippi, C. J. Umrigar, and X. Gonze in Theoretical and Computational Chemistry: Recent Developments in Density Functional Theory, edited by J. Seminario (Elsevier, New York, 1996).
13. C. J. Umrigar and X. Gonze, in High Performance Computing and its Application to the Physical Sciences, Proceedings of the Mardi Gras '93 Conference, edited by D. A. Browne et al. (World Scientific, Singapore, 1993); C. Filippi, C. J. Umrigar, and X. Gonze in Theoretical and Computational Chemistry: Recent Developments in Density Functional Theory, edited by J. Seminario (Elsevier, New York, 1996).
14. J. D. Morgan III and W. Kutzelnigg, J. Chem. Phys. 97, 2425 (1993).
15. C. R. Myers, C. J. Umrigar, J. P. Sethna, and J. D. Morgan, Phys. Rev. A 44, 5537 (1991).