Combining the semiclassical initial value representation with centroid dynamics

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6883-6892

  Ka, Being J ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMAL EFFECTS;

CENTROID DYNAMICS (CD); CORRELATION FUNCTIONS; NUMERICAL COSTS; QUANTUM TIME PROPAGATION;

FLUID DYNAMICS;

EID: 2942534305     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037862h     Document Type: Article

References (31)

1. Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401.
2. Miller, W. H. J. Chem. Phys. 1970, 53, 3578; Miller, W. H.; George, T. F. J. Chem. Phys. 1972, 56, 5668.
3. Miller, W. H. J. Chem. Phys. 1970, 53, 3578; Miller, W. H.; George, T. F. J. Chem. Phys. 1972, 56, 5668.
4. Heller, E. J. J. Chem. Phys. 1981, 75, 2923.
5. Kluk, E.; Herman, M. F.: Davis, H. L. J. Chem. Phys. 1986, 84, 326.
6. Miller, W. H. J. Chem. Phys. 1991, 95, 9428.
7. Kay, K. G. J. Chem. Phys. 1994, 100, 4377; 1994, 100, 4432; 1994, 101, 2250.
8. Kay, K. G. J. Chem. Phys. 1994, 100, 4377; 1994, 100, 4432; 1994, 101, 2250.
9. Kay, K. G. J. Chem. Phys. 1994, 100, 4377; 1994, 100, 4432; 1994, 101, 2250.
10. Grossmann, F.; Xavier A. L., Jr. Phys. Lett. A. 1998, 243, 243.
11. Campolieti, G.; Brumer, P. Phys. Rev. A. 1994, 50, 997.
12. Thoss, M.; Wang, H.; Miller, W. H. J. Chem. Phys. 2001, 114, 9220.
13. Wang, H.; Thoss, M.; Miller, W. H. J. Chem. Phys. 2000, 112, 47.
14. Krilov, G.; Sim, E.; Berne, B. J. J. Chem. Phys. 2001, 114, 1075.
15. Skilling, J. Maximum Entropy and Bayesian Methods; Kluwer: Academic: Dordrecht, 1989.
16. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 99, 10070; 1994, 100, 5093; 1994, 100, 5106; 1994, 101, 6157; 1994, 101, 6158.
17. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 99, 10070; 1994, 100, 5093; 1994, 100, 5106; 1994, 101, 6157; 1994, 101, 6158.
18. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 99, 10070; 1994, 100, 5093; 1994, 100, 5106; 1994, 101, 6157; 1994, 101, 6158.
19. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 99, 10070; 1994, 100, 5093; 1994, 100, 5106; 1994, 101, 6157; 1994, 101, 6158.
20. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 99, 10070; 1994, 100, 5093; 1994, 100, 5106; 1994, 101, 6157; 1994, 101, 6158.
21. Jang, S.; Voth, G. A. J. Chem. Phys. 1999, 111, 2371.
22. Jang, S.; Voth, G. A. J. Chem. Phys. 1999, 111, 2357.
23. Thirumalai, D.; Bruskin, E. J.; Berne, B. J. J. Chem. Phys. 1983, 79, 5063.
24. Thompson, K.; Makri, N. Phys. Rev. E. 1999, 59, R4729.
25. Shao, J.; Makri, N. J. Phys. Chem. A. 1999, 103, 7753.
26. Skinner, D. E.; Miller, W. H. J. Chem. Phys. 1999, 111, 10787.
27. Sun, X.; Miller, W. H. J. Chem. Phys. 1999, 110, 6635.
28. Herman, M. F.; Kluk, E. Chem. Phys. 1984, 91, 27.
29. Jang, S.; Voth, G. A. J. Chem. Phys. 1997, 107, 9514.
30. Ka, B. J.: Voth, G. A. Manuscript to be submitted for publication.
31. Feit, M. D.; Fleck, J. A., Jr.: Steiger, A. J. Comput. Phys. 1982, 47, 412.