Generalized valence bond molecular dynamics at constant temperature

Molecular Physics

Volumn 89, Issue 5, 1996, Pages 1265-1276

  Gibson, Douglas A ^a   Carter, Emily A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001374171     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689796173165     Document Type: Article

References (21)

1. Nosé, S., 1984. Molec. Phys., 52:255
2. Nosé, S., 1984. J. chem. Phys., 81:511
3. Hoover, W. G., 1985. Phys. Rev. A, 31:1695
4. Martyna, G. J., Klein, M. L., and Tuckerman, M., 1992. J. chem. Phys., 97:2635
5. Bobrowicz, F. W., and Goddard, W. A., III. 1977. Methods of Electronic Structure Theory, 79New York:Plenum.
6. Hartke, B., and Carter, E. A., 1992. J. chem. Phys., 97:6569
7. Gibson, D. A., Ionova, I. V., and Carter, E. A., 1995. Chem. Phys. Lett., 240:261
8. Gibson, D. A., and Carter, E. A., unpublished
9. Kirkpatrick, S., Gelatt, C. D., Jr and Vecchi, M. P., 1983. Science, 220:671
10. Tobias, D. J., Martyna, G. J., and Klein, M. L., 1993. J. phys. Chem., 97:12959
11. Swope, W. C., Andersen, H. C., Berens, P. H., and Wilson, K. R., 1982. J. chem. Phys., 76:637
12. Pulay, P., 1980. Chem. Phys. Lett., 73:393
13. Fois, E. S., Penman, J. I., and Madden, P. A., AIP Conference Proceedings. Advances in Biomolecular Simulation. Vol. 239, pp. 33
14. Blöchl, P. E., and Parrinello, M., 1992. Phys. Rev. B, 45:9413
15. Fois, E. S., Penman, J. I., and Madden, P. A., 1993. J. chem. Phys., 98:6361
16. Tuckerman, M., and Parrinello, M., 1994. J. chem. Phys., 101:1301
17. Martyna, G. J., Tuckerman, M. E., Tobias, D. J., and Klein, M. L., 1996. Molec. Phys., 87:1117
18. Tuckerman, M. E., Berne, B. J., and Martyna, G. J., 1992. J. chem. Phys., 97:1990
19. Gibson, D. A., and Carter, E. A., 1993. J. phys. Chem., 97:13429
20. Raghavachari, K., 1986. J. chem. Phys., 84:5672
21. Fournier, R., Sinnott, S. B., and DePristo, A. E., 1992. J. chem. Phys., 97:4149