Path-integral simulations beyond the adiabatic approximation

Journal of Chemical Physics

Volumn 127, Issue 9, 2007, Pages

  Schmidt, J R ^a   Tully, John C ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STATES; MONTE CARLO METHODS;

ADIABATIC APPROXIMATION; ELECTRONIC SURFACES; INTEGRAL SIMULATIONS; ISOMORPHIC SYSTEMS;

APPROXIMATION THEORY;

EID: 34548539116     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2757170     Document Type: Article

References (25)

1. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
2. H. F. Jordan and L. D. Fosdick, Phys. Rev. 0031-899X 10.1103/PhysRev.171. 128 171, 128 (1968).
3. J. A. Barker, J. Chem. Phys. 0021-9606 10.1063/1.437829 70, 2914 (1979).
4. D. Chandler and P. G. Wolynes, J. Chem. Phys. 0021-9606 10.1063/1.441588 74, 4078 (1981).
5. R. G. Storer, J. Math. Phys. 0022-2488 10.1063/1.1664666 9, 964 (1968).
6. D. Thirumalai, E. J. Bruskin, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.445601 79, 5063 (1983).
7. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.physchem.37.1.401 37, 401 (1986).
8. D. Thirumalai, R. W. Hall, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.447985 81, 2523 (1984).
9. R. A. Kuharski and P. J. Rossky, J. Chem. Phys. 0021-9606 10.1063/1.448641 82, 5164 (1985).
10. M. Parrinello and A. Rahman, J. Chem. Phys. 0021-9606 10.1063/1.446740 80, 860 (1984).
11. A. Wallqvist and B. J. Berne, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(85)80206-2 117, 214 (1985).
12. M. H. Alexander, Chem. Phys. Lett. 347, 436 (2001). 0009-2614
13. R. P. Feynman and F. L. Vernon, Jr., Ann. Phys. 0003-3804 10.1016/0003-4916(63)90068-X 24, 118 (1963).
14. D. E. Logan, Mol. Phys. 0026-8976 10.1080/00268978400100891 51, 1365 (1984).
15. J. Cao and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.465198 99, 2902 (1993).
16. A. J. Leggett, S. Chakravarty, A. T. Dorsey, M. P. A. Fisher, A. Garg, and W. Zwerger, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.59.1 59, 1 (1987).
17. C. D. Schwieters and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.479569 111, 2869 (1999).
18. S. Jang and J. Cao, J. Chem. Phys. 0021-9606 10.1063/1.1371262 114, 9959 (2001).
19. J. Cao, C. Minichino, and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.469762 103, 1391 (1995).
20. M. F. Herman, E. J. Bruskin, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.442815 76, 5150 (1982).
21. J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.467175 100, 5093 (1994).
22. J. Cao and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.467176 100, 5106 (1994).
23. I. R. Craig and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 10.1063/1.1777575 121, 3368 (2004).
24. B. J. Braams and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 10.1063/1.2357599 125, 124105 (2006).
25. J. -L. Liao and G. A. Voth, J. Phys. Chem. B 1089-5647 10.1021/jp020978d 106, 8449 (2002).