Cyclopentadiene stability: Quantum Monte Carlo, coupled cluster, and density functional theory determinations

Molecular Physics

Volumn 96, Issue 4, 1999, Pages 629-632

  Grossman, Jeffrey C ^a   Lester, William A ^a   Louie, Steven G ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0003411707     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909482999     Document Type: Article

References (31)

1. Hohenberg, P., and Kohn, W., 1964. Phys. Rev. B, 136:864
2. Parr, R. G., and Yang, W., 1989. Density-Functional Theory of Atoms and Molecules, Oxford University Press.
3. Dreizler, R. M., and Gross, E. K. U., 1990. Density Functional Theory:An Approach to the Quantum Many-Body Problem, Berlin:Springer-Verlag.
4. Kryachko, E. S., and Ludena, E. V., 1990. Density Functional Theory of Many Electron Systems, Dordrecht:Kluwer.
5. March, N., 1992. Electron Density Theory of Atoms and Molecules, London:Academic Press.
6. Frisch, M. J., 1995. Gaussian 94, revision B.1, Pittsburgh, PA:Gaussian, Inc.
7. Delley, B., 1990. J. chem. Phys., 92:508
8. Hammond, B. L., Lester, W. A., Jr. and Reynolds, P. J., 1994. Monte Carlo Methods in Ab Initio Quantum Chemistry, Singapore:World Scientific.
9. Anderson, J. B., 1995. Intl Rev. phys. Chem., 14:85
10. Ceperley, D. M., and Mitas, L., 1996. Adv. chem. Phys., 93:1
11. Lester, W. A., Jr. 1997. Recent Advances in Quantum Monte Carlo Methods, Singapore:World Scientific.
12. Raghavachari, K., and Anderson, J. B., 1996. J. phys. Chem., 100:12960
13. Olah, G. A., and Molnar, A., 1995. Hydrocarbon Chemistry, New York:Wiley.
14. Vosko, S. H., Wilk, L., and Nusair, M., 1980. Can. J. Phys., 58:1200
15. Ceperley, D. M., and Alder, B. J., 1980. Phys. Rev. Lett., 45:566
16. Becke, A. D., 1988. Phys. Rev. A, 38:3098
17. Lee, C., Yang, W., and Parr, R. G., 1988. Phys. Rev. B, 37:785
18. Becke, A. D., 1993. J. chem. Phys., 98:5648
19. Perdew, J. P., 1991. Electronic Structure of Solids '91, 11Berlin:Akademie Verlag.
20. Grossman, J. C., and Mitas, L., 1997. Phys. Rev. Lett., 79:4353
21. Schmidt, K. E., and Moskowitz, J. W., 1990. J. chem. Phys., 93:4172
22. Fahy, S., Wang, X. W., and Louie, S. G., 1988. Phys. Rev. Lett., 61:1631
23. Mitas, L., 1993. Computer Simulation Studies in Condensed-Matter Physics, Berlin:Springer-Verlag.
24. Grossman, J. C., and Mitas, L., 1995. Phys. Rev. Lett., 74:1323
25. Reynolds, P. J., Ceperley, D. M., Alder, B. J., and Lester, W. A., Jr. 1982. J. chem. Phys., 77:5593
26. Stevens, W. J., Basch, H., and Krauss, M., 1984. J. chem. Phys., 81:6026
27. Dunning, T. H., Jr. 1989. J. chem. Phys., 90:1007
28. Landolt-Bornstein, New Series II-7, New York:Springer-Verlag.
29. Grossman, J. C., Lester Jr., W. A. and Louie, S. G.
30. Mitas, L. and Grossman, J. C.
31. Peterson, K. A., and Dunning, T. H., Jr. 1997. J. chem. Phys., 106:4119