Linearized path integral approach for calculating nonadiabatic time correlation functions

Proceedings of the National Academy of Sciences of the United States of America

Volumn 102, Issue 19, 2005, Pages 6715-6719

  Bonella, Sara ^a   Montemayor, Daniel ^a   Coker, David F ^a  

^a Boston University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; CORRELATION ANALYSIS; MOTION; OSCILLATION; PRIORITY JOURNAL; QUANTUM MECHANICS; THEORY;

BIOPHYSICS; CHEMISTRY; HEAT; MODELS, STATISTICAL; MODELS, THEORETICAL; TIME; TIME FACTORS;

EID: 18744365521     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0408326102     Document Type: Article

References (41)

1. Chandler, D. (1987) Introduction to Modern Statistical Mechanics (Oxford Univ. Press, New York).
2. Kubo, R. (1966) Rep. Prog. Phys. 29, 255-284.
3. Allen, M. P. & Tildesley, D. J. (1987) Computer Simulation of Liquids (Clarendon, Oxford).
4. Frenkel, D. & Smit, B. (2002) Understanding Molecular Simulation (Academic, New York).
5. Miller, W. H. (2001) J. Phys. Chem. A 105, 2942-2955.
6. Wang, H., Sun, X. & Miller, W. H. (1998) J. Chem. Phys. 108, 9726-9736.
7. Sun, X., Wang, H. & Miller, W. H. (1998) J. Chem. Phys. 109, 7064-7074.
8. Thoss, M., Wang, H. & Miller, W. H. (2001) J. Chem. Phys. 114, 9220-9235.
9. Zhang, S. & Pollak, E. (2003) J. Chem. Phys. 118, 4357-4364.
10. Poulsen, J., Nyman, G. & Rossky, P. (2003) J. Chem. Phys. 119, 12179-12193.
11. Poulsen, J., Nyman, G. & Rossky, P. (2004) J. Phys. Chem. A 108, 8743-8751.
12. Shi, Q. & Geva, E. (2003) J. Chem. Phys. 118, 8173-8184.
13. Shi, Q. & Geva, E. (2003) J. Phys. Chem. A 107, 9059-9069.
14. Shi, Q. & Geva, E. (2003) J. Phys. Chem. A 107, 9070-9078.
15. Herman, M. F. & Coker, D. (1999) J. Chem. Phys. 111, 1801-1808.
16. Miller, W. H. & McCurdy, C. W. (1978) J. Chem. Phys. 69, 5163-5173.
17. McCurdy, C. W., Meyer, H. D. & Miller, W. H. (1979) J. Chem. Phys. 70, 3177-3187.
18. Sun, X. & Miller, W. H. (1997) J. Chem. Phys. 106, 6346-6353.
19. Stock, G. & Thoss, M. (1997) Phys. Rev. Lett. 78, 578-581.
20. Stock, G. & Thoss, M. (1999) Phys. Rev. A 59, 64-79.
21. Bonella, S. & Coker, D. F. (2001) J. Chem. Phys. 114, 7778-7789.
22. Bonella, S. & Coker, D. F. (2001) Chem. Phys. 268, 189-200.
23. Bonella, S. & Coker, D. F. (2003) J. Chem. Phys. 118, 4370-4385.
24. Herman, M. F. & Kluk, E. (1984) Chem. Phys. 91, 27-34.
25. Bonella, S. & Coker, D. F. (2005) Comp. Phys. Commun., in press.
26. Bonella, S. & Coker, D. F. (2005) J. Chem. Phys., in press.
27. Schulman, L. (1996) Techniques and Applications of Path Integration (Wiley, New York).
28. Kapral, R. & Ciccotti, G. (1999) J. Chem. Phys. 110, 8919-8929.
29. Shi, Q. & Geva, E. (2004) J. Chem. Phys. 120, 10647-10658.
30. Leggett, A. J., Chakravarty, S., Dorsey, A. T., Fisher, M. P. A., Garg, A. & Zwerger, W. (1987) Rev. Mod. Phys. 59, 1-85.
31. Egger, R. & Mak, C. H. (1994) Phys. Rev. B 50, 15210-15220.
32. Mak, C. H. & Chandler, D. (1991) Phys. Rev. A 44, 2352-2369.
33. Evans, D. G., Nitzan, A. & Ratner, M. A. (1998) J. Chem. Phys. 108, 6387-6393.
34. Topaler, M. & Makri, N. (1994) J. Chem. Phys. 101, 7500-7519.
35. Thompson, K. & Makri, N. (1999) J. Chem. Phys. 110, 1343-1353.
36. Thompson, K. & Makri, N. (1998) Chem. Phys. Lett. 291, 101-109.
37. Stock, G. (1995) J. Chem. Phys. 103, 1561-1573.
38. Golosov, A. & Reichman, D. R. (2001) J. Chem. Phys. 114, 1065-1074.
39. MacKernan, D., Ciccotti, G. & Kapral, R. (2002) J. Chem. Phys. 116, 2346-2353.
40. Shi, Q. & Geva, E. (2004) J. Phys. Chem. A 108, 6109-6116.
41. Shi, Q. & Geva, E. (2004) J. Chem. Phys. 121, 3393-3404.