Short-time dynamics through conical intersections in macrosystems. I. Theory: Effective-mode formulation

Journal of Chemical Physics

Volumn 124, Issue 14, 2006, Pages

  Gindensperger, Etienne ^a   Burghardt, Irene ^b   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; HAMILTONIANS; MATHEMATICAL TRANSFORMATIONS; TOPOLOGY;

ENVIRONMENTAL MODES; MACROSYSTEMS; SHORT-TIME DYNAMICS;

NUCLEAR PHYSICS;

EID: 34547648958     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2183304     Document Type: Article

References (53)

1. L. S. Cederbaum, E. Gindensperger, and I. Burghardt, Phys. Rev. Lett. 94, 113003 (2005).
2. H. Köppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984).
3. J. Michl and V. Bonacić-Koutecký, Electronic Aspects of Organic Photochemistry (Wiley, New York, 1990).
4. D. R. Yarkony, Rev. Mod. Phys. 68, 985 (1996).
5. W. Domcke and G. Stock, Adv. Chem. Phys. 100, 1 (1997).
6. M. A. Robb, M. Garavelli, M. Olivucci, and F. Bernardi, in Reviews in Computational Chemistry, edited by, K. Lipkowitz, and, D. Boyd, (Wiley, New York, 2000), Vol. 15, p. 87.
7. The Role of Degenerate States in Chemisrty, Advances in Chemical Physics Vol. 124, edited by, M. Baer, and, G. D. Billing, (Wiley, New York, 2002).
8. Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, edited by, W. Domcke, D. R. Yarkony, and, H. Köppel, (World Scientific, Singapor, 2004).
9. G. A. Worth and L. S. Cederbaum, Annu. Rev. Phys. Chem. 55, 127 (2004).
10. D. G. Truhlar and C. A. Mead, Phys. Rev. A 68, 032501 (2003).
11. H. D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
12. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 199 (1992).
13. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
14. H.-D. Meyer and G. A. Worth, Theor. Chem. Acc. 109, 251 (2003).
15. A. Raab, G. A. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 110, 936 (1999).
16. A. Kühl and W. Domcke, J. Chem. Phys. 116, 263 (2002).
17. M. C. M. O'Brien, J. Phys. C 5, 2045 (1972).
18. R. Englman and B. Halperin, Ann. Phys. (N.Y.) 3, 453 (1978).
19. M. C. M. O'Brien and S. N. Evangelou, J. Phys. C 13, 611 (1980).
20. J. R. Fletcher, M. C. M. O'Brien, and S. N. Evangelou, J. Phys. A 13, 2035 (1980).
21. L. S. Cederbaum, E. Haller, and W. Domcke, Solid State Commun. 35, 879 (1980).
22. E. Haller, L. S. Cederbaum, and W. Domcke, Mol. Phys. 41, 1291 (1980).
23. Y. Toyozawa and M. Inoue, J. Phys. Soc. Jpn. 21, 1663 (1966).
24. T. Takagahara, E. Hanamura, and R. Kubo, J. Phys. Soc. Jpn. 44, 728 (1977).
25. E. Gindensperger, I. Burghardt, and L. S. Cederbaum, J. Chem. Phys. 124, 144104 (2006), following paper.
26. G. J. Atchity, S. S. Xantheas, and K. Ruedenberg, J. Chem. Phys. 95, 1862 (1991).
27. D. R. Yarkony, J. Phys. Chem. A 101, 4263 (1997).
28. D. R. Yarkony, Acc. Chem. Res. 31, 511 (1998).
29. D. R. Yarkony, J. Chem. Phys. 114, 2601 (2001).
30. I. Burghardt, E. Gindensperger, and L. S. Cederbaum, Mol. Phys. 104, 1081 (2006).
31. R. D. Levine, Quantum Mechanics of Molecular Rate Processes (Oxford University Press, Oxford/Clarendon, Oxford, 1969).
32. E. J. Heller, J. Chem. Phys. 68, 2066 (1978).
33. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (Elsevier Science, New York, 1992).
34. H. Cramár, Mathematical Methods of Statistics (Princeton University Press, Princeton, NJ, 1946).
35. L. S. Cederbaum, W. Domcke, H. Köppel, and W. von Niessen, Chem. Phys. 26, 169 (1977).
36. M. Basler (unpublished).
37. S. Krempl, M. Winterstetter, H. Plöhn, and W. Domcke, J. Chem. Phys. 100, 926 (1994).
38. G. A. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 105, 11 (1996).
39. G. A. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 109, 3518 (1998).
40. I. Burghardt, J. T. Hynes, E. Gindensperger, and L. S. Cederbaum, Phys. Scr. 73, C42 (2006).
41. A. J. Leggett, S. Chakravarty, A. T. Dorsey, M. P. A. Fisher, A. Garg, and W. Zwerger, Rev. Mod. Phys. 59, 1 (1987).
42. U. Weiss, Quantum Dissipative Systems (World Scientific, Singapore, 1999).
43. A. Garg, J. N. Onuchic, and V. Ambegaokar, J. Chem. Phys. 83, 4491 (1985).
44. W. Moffit and W. Thorson, Phys. Rev. 108, 1251 (1957).
45. H. C. Longuet-Higgins, U. Öpik, M. H. L. Pryce, and R. A. Sack, Proc. R. Soc. London, Ser. A 244, 1 (1958).
46. D. R. Yarkony, J. Chem. Phys. 123, 204101 (2005).
47. H. Wang and M. Thoss, J. Chem. Phys. 119, 1289 (2003).
48. M. Thoss, H. Wang, and W. H. Miller, J. Chem. Phys. 115, 2991 (2001).
49. I. Burghardt, M. Nest, and G. A. Worth, J. Chem. Phys. 119, 5364 (2003).
50. R. Kapral and G. Ciccotti, J. Chem. Phys. 110, 8919 (1999).
51. I. Horenko, M. Weiser, B. Schmidt, and C. Schütte, J. Chem. Phys. 120, 8913 (2004).
52. A. Royer, Phys. Rev. Lett. 77, 3272 (1996).
53. I. Burghardt, in Quantum Dynamics of Complex Molecular Systems, edited by, D. A. Micha, and, I. Burghardt, (Springer Verlag, Heidelberg, 2006).