Multiconfigurational system-bath dynamics using Gaussian wave packets: Energy relaxation and decoherence induced by a finite-dimensional bath

Journal of Chemical Physics

Volumn 119, Issue 11, 2003, Pages 5364-5378

  Burghardt, Irene ^a   Nest, Mathias ^b   Worth, Graham A ^c  

^a ECOLE NORMALE SUPÉRIEURE   (France)

^b UNIVERSITY OF POTSDAM   (Germany)

^c KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

OSCILLATORS (MECHANICAL); QUANTUM THEORY; ULTRAFAST PHENOMENA; WAVE PROPAGATION;

HARMONIC OSCILLATORS;

MOLECULAR DYNAMICS;

EID: 0141887373     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1599275     Document Type: Article

References (77)

1. I. Burghardt, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 111, 2927 (1999).
2. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
3. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992).
4. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
5. G. A. Worth and I. Burghardt, Chem. Phys. Lett. 368, 502 (2003).
6. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (North-Holland, Amsterdam, 1992).
7. K. Lindenberg and B. J. West, The Nonequilibrium Statistical Mechanics of Open and Closed Systems (VCH Publishers, New York, 1990).
8. U. Weiss, Quantum Dissipative Systems (World Scientific, Singapore, 1999).
9. S. Mukamel, Principles of Nonlinear Optical Spectroscopy (Oxford University Press, New York/Oxford, 1995).
10. I. Burghardt, J. Chem. Phys. 114, 89 (2001).
11. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
12. E. J. Heller, J. Chem. Phys. 64, 63 (1976).
13. E. J. Heller, J. Chem. Phys. 75, 2923 (1981).
14. S.-Y. Lee and E. J. Heller, J. Chem. Phys. 76, 3035 (1982).
15. R. D. Coalson and M. Karplus, J. Chem. Phys. 93, 3919 (1990).
16. S.-I. Sawada, R. Heather, B. Jackson, and H. Metiu, J. Chem. Phys. 83, 3009 (1985).
17. S. Sawada and H. Metiu, J. Chem. Phys. 84, 227 (1986).
18. S. Sawada and H. Metiu, J. Chem. Phys. 84, 6293 (1986).
19. M. J. Davis and E. J. Heller, J. Comput. Phys. 71, 3383 (1979).
20. I. P. Hamilton and J. C. Light, J. Chem. Phys. 84, 306 (1986).
21. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
22. M. F. Herman, Annu. Rev. Phys. Chem. 45, 83 (1994).
23. K. G. Kay, J. Chem. Phys. 91, 170 (1989).
24. B. Poirier and J. C. Light, J. Chem. Phys. 113, 211 (2000).
25. S. Garashchuk and J. C. Light, J. Chem. Phys. 114, 3929 (2001).
26. D. J. Tannor and S. Garashchuk, Annu. Rev. Phys. Chem. 51, 553 (2000).
27. H. Wang, D. E. Manolopoulos, and W. H. Miller, J. Chem. Phys. 115, 6317 (2001).
28. W. H. Miller, J. Phys. Chem. 105, 2942 (2001).
29. T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996).
30. T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
31. M. Ben-Nun and T. J. Martínez, Chem. Phys. Lett. 57, 298 (1998).
32. M. Ben-Nun, J. Quenneville, and T. J. Martínez, J. Phys. Chem. A 104, 5162 (2000).
33. M. Ben-Nun and T. J. Martínez, J. Chem. Phys. 112, 6113 (2000).
34. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 114, 9296 (2001).
35. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 115, 5367 (2001).
36. M. S. Child and D. V. Shalashilin, J. Chem. Phys. 118, 2061 (2003).
37. V. Buch, J. Chem. Phys. 117, 4738 (2002).
38. M. L. Brewer, J. Chem. Phys. 111, 2657 (1999).
39. A. B. McCoy, L. Wang, and F. Chen, Faraday Discuss. Chem. Soc. 118, 281 (2001).
40. H. Wang, M. Thoss, and W. H. Miller, J. Chem. Phys. 115, 2979 (2001).
41. M. Thoss, H. Wang, and W. H. Miller, J. Chem. Phys. 115, 2991 (2001).
42. M. Nest and H.-D. Meyer, J. Chem. Phys. 119, 24 (2003).
43. A. Raab, I. Burghardt, and H.-D. Meyer, J. Chem. Phys. 111, 8759 (1999).
44. A. Raab and H.-D. Meyer, J. Chem. Phys. 112, 10718 (2000).
45. A. Raab and H.-D. Meyer, Theor. Chem. Acc. 104, 10718 (2000).
46. A. Raab, G. A. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 110, 936 (1999).
47. H. Wang, J. Chem. Phys. 113, 9948 (2000).
48. Notice that in Ref. 1, we specifically considered the choice of η̇ leading to Ȧ=0.
49. G. W. Ford, M. Kac, and P. Mazur, J. Math. Phys. 6, 504 (1965).
50. P. Ullersma, Physica (Amsterdam) 32, 27 (1966).
51. C. S. Agarwal, Phys. Rev. A 4, 739 (1971).
52. A. O. Caldeira and A. J. Leggett, Physica A 121, 587 (1983).
53. A. O. Caldeira and A. J. Leggett, Ann. Phys. (Leipzig) 149, 374 (1983).
54. F. Haake and R. Reibold, Phys. Rev. A 32, 2462 (1985).
55. K. Lindenberg and B. J. West, Phys. Rev. A 30, 568 (1984).
56. E. Cortés, B. J. West, and K. Lindenberg, J. Chem. Phys. 82, 2708 (1985).
57. Due to the divergence at high frequencies, the ohmic spectral density is often regularized, in particular according to the so-called Drude model (Refs. 7 and 8). The present numerical calculations for a finite number of bath oscillators do not necessitate such a regularization.
58. P. Ruggiero and M. Zannetti, Phys. Rev. A 28, 987 (1983).
59. A. K. Rajagopal, Phys. Lett. A 246, 237 (1998).
60. D. W. Oxtoby, Adv. Chem. Phys. 40, 1 (1979).
61. W. T. Strunz and F. Haake, Phys. Rev. A 67, 022102 (2003).
62. W. T. Strunz, F. Haake, and D. Braun, Phys. Rev. A 67, 022101 (2003).
63. B. L. Hu and Y. Zhang, Mod. Phys. Lett. A 8, 3575 (1993).
64. C. Anastopoulos and J. J. Halliwell, Phys. Rev. D 51, 6870 (1995).
65. J. Halliwell and A. Zoupas, Phys. Rev. D 52, 7294 (1995).
66. J. Halliwell and A. Zoupas, Phys. Rev. D 55, 4697 (1997).
67. L. Diósi and C. Kiefer, Phys. Rev. Lett. 85, 3552 (2000).
68. L. Diósi and C. Kiefer, J. Phys. A 35, 2675 (2002).
69. A. Anderson and J. J. Halliwell, Phys. Rev. D 48, 2753 (1993).
70. W. H. Zurek, Prog. Theor. Phys. 89, 281 (1993).
71. W. H. Zurek, S. Habib, and P. Paz, Phys. Rev. Lett. 70, 1187 (1993).
72. J. Gong and P. Brumer, Phys. Rev. Lett. 90, 050402 (2003).
73. I. Burghardt and K. B. Møller, J. Chem. Phys. 117, 7409 (2002).
74. A. Stern, Y. Aharonov, and Y. Imry, Phys. Rev. A 41, 3436 (1990).
75. A. O. Caldeira and A. J. Leggett, Phys. Rev. A 31, 1059 (1985).
76. G. A. Worth and I. Burghardt (unpublished).
77. F. Haake, H. Risken, C. Savage, and D. Walls, Phys. Rev. A 34, 3969 (1986).