Conical intersections: Relaxation, dephasing, and dynamics in a simple model

Israel Journal of Chemistry

Volumn 44, Issue 1-3, 2004, Pages 53-64

  Katz, Gil ^a   Kosloff, Ronnie ^b   Ratner, Mark A ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

BLEACHING; COMPLEX FORMATION; CONFERENCE PAPER; DECOMPOSITION; DENSITY GRADIENT; ELECTRONICS; EXCITATION; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PARTICLE SIZE; PHASE TRANSITION; QUANTUM CHEMISTRY; REACTION ANALYSIS; SIGNAL TRANSDUCTION; STATISTICAL SIGNIFICANCE; STRUCTURE ANALYSIS; SURFACE PROPERTY;

EID: 15944391682     PISSN: 00212148     EISSN: None     Source Type: Journal    
DOI: 10.1560/KQRW-T0LL-0HL9-NKBU     Document Type: Conference Paper

References (56)

1. For an approach that is specifically not based on the Born-Oppenheimer separation, cf. Ohrn, Y.; Deumens, E. Adv. Chem. Phys. 2002, 124, 323.
2. Born, M.; Oppenheimer, J.R. Ann. Phys. 1927, 87, 457. Tinkham, M. Group Theory and Quantum Mechanics; McGraw-Hill: New York, 1964.
3. Born, M.; Oppenheimer, J.R. Ann. Phys. 1927, 87, 457. Tinkham, M. Group Theory and Quantum Mechanics; McGraw-Hill: New York, 1964.
4. Nitzan, A.; Jortner, J. J. Chem. Phys. 1972, 56, 5200.
5. Jortner, J. J. Chem. Phys. 1976, 64, 4860.
6. Jortner, J.; Bixon, M. Adv. Chem. Phys. 1999, 106, 35.
7. Zener, C. Proc. R. Soc. London. Ser. A 1932, 137, 696.
8. Nakamura, H. Nonadiabatic Transition (World: River Edge, NJ, 2002); Baer, M. Adv. Chem. Phys. 2002, 124, 39.
9. Nakamura, H. Nonadiabatic Transition (World: River Edge, NJ, 2002); Baer, M. Adv. Chem. Phys. 2002, 124, 39.
10. Marcus, R.A. Annu. Rev. Phys. Chem. 1964, 15, 155.
11. Hush, N.S. Trans. Faraday Soc. 1961, 57, 557.
12. Marcus, R.A. J. Chem. Phys. 1956, 24, 966. Barbara, P. Meyer, T.J.; Ratner, M.A. J. Phys. Chem. 1996, 100, 13148.
13. Marcus, R.A. J. Chem. Phys. 1956, 24, 966. Barbara, P. Meyer, T.J.; Ratner, M.A. J. Phys. Chem. 1996, 100, 13148.
14. Teller, E. J. Phys. Chem. 1937, 41, 109.
15. Carrington, T. Faraday Discuss. Chem. Soc. 1972, 53, 27.
16. Davidson, E.R. J. Am. Chem. Soc. 1977, 99, 397.
17. Domcke, W.; Koppel, H.; Cederbaum, L.S. Mol. Phys. 1981, 43, 851.
18. Mead, C.A.; Truhlar, D.G. J. Chem. Phys. 1979, 70, 2284.
19. (a) Kiessinger, M.; Michl, J. Excited States and Photochemistry; VCH: New York, 1993.
20. (b) Michl, J.; Bonacic-Koutecky, V. Electronic Aspects of Organic Photochemistry; Interscience: New York, 1990.
21. (c) Quenneville, J.; Martinez, T. J. Phys. Chem. A 2003, 107, 829.
22. Yarkony, D.R. Int. Rev. Phys. Chem. 1992, 11, 195.
23. Yarkony, D.R. J. Phys. Chem. 2001, A 105, 6277.
24. Köppel, H. Chem. Phys. Lett. 1993, 205, 361.
25. Cattarius, C.; Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S. J. Chem. Phys. 2001, 115, 2088. Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S. J. Chem. Phys. 1998, 109, 3518.
26. Cattarius, C.; Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S. J. Chem. Phys. 2001, 115, 2088. Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S. J. Chem. Phys. 1998, 109, 3518.
27. Klessinger, M. Angew. Chem. 1995, 107, 597.
28. Bernardi, F.; Olivucci, M.; Robb, M. Chem. Soc. Rev. 1996, 25, 321.
29. Krempl, S.; Winterstetter, M.; Pl'hn, H.; Domcke, W. J. Chem. Phys. 1995, 100, 926.
30. Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S. J. Chem. Phys. 1999, 109, 936.
31. Manthe, U.; Köppel, H.; Cederbaum, L.S. J. Chem. Phys. 1991, 95, 1708.
32. Cederbaum, L.S.; Domcke, W.; Köppel, H.; von Niessen, W. Chem. Phys. 1977, 26, 169.
33. Mahapatra, S.; Worth, G.A.; Meyer, H.-D.; Cederbaum, L.S.; Köppel, H. J. Phys. Chem. 2001, A 105, 5567.
34. Gerdts, T.; Manthe, U. J. Chem. Phys. 1997, 106, 3017.
35. Wolfseder, B.; Domcke, W. Chem. Phys. Lett. 1995, 235, 370.
36. Kuhl, A.; Domcke, W. J. Chem. Phys. 2002, 116, 263.
37. Kuhl, A.; Domcke, W. Chem. Phys. 2000, 259, 227.
38. Lindblad, G. Commun. Math. Phys. 2001, 114, 2601.
39. Rice, S.A.; Kosloff, R. J. Chem. Phys. 1980, 72, 4591.
40. Kohen, D.; Marston, C.C.; Tannor, D. J. Chem. Phys. 1997, 107, 52361.
41. Kosloff, R.; Ratner, M.A. J. Chem. Phys. 1982, 77, 2841.
42. Bartana, A.; Kosloff, R.; Tannor, D.J. J. Chem. Phys. 1997, 106, 1435-1448.
43. Kosloff, R.; Ratner, M.A.; Davis, W.B. J. Chem. Phys. 1997, 106, 7036-7043.
44. Ashkenazi, G.; Kosloff, R.; Ratner, M.A. J. Am. Chem. Soc. 1999, 121, 3386-3395.
45. Koch, C.P.; Kluner, T.; Kosloff, R. J. Chem. Phys. 2002, 116, 7983-7996.
46. Kosloff, R. J. Phys. Chem. 1988, 92, 2087.
47. Saalfrank, P.; Kosloff, R. J. Chem. Phys. 1996, 105, 2441.
48. Kosloff R.; Ratner, M.A. J. Phys. Chem. B 2002, 106, 8479.
49. Cederbaum, L.S.; Friedman, R.S.; Ryaboy, V.M.; Moiseyev, N. Phys. Rev. Lett. 2003, 90, 013001.
50. Saalfrank, P.; Baer, R.; Kosloff, R. Chem. Phys. Lett. 1994, 230, 463.
51. Katz, G.; Zeiri, Y.; Kosloff, R. Chem. Phys. Lett. 2002, 358, 284.
52. Kleinekathofer, U.; Kondov, I.; Schreiber, M. Chem. Phys. 2001, 268, 121.
53. Egorova, D.; Kuhl, A.; Domcke, W. Chem. Phys. 2001, 268, 105.
54. 47 refer to the assumption that the diabatic coordinates couple to the bath as the diabatic damping approximation, and their investigations suggest that it is valid over a broad set of conditions.
55. Nest, M.; Saalfrank, P. Chem. Phys. 2001, 268, 65.
56. The referee has pointed out that the form of eq 6 is unphysical, because it has no Taylor expansion around y = 0. Similarly, eq 7 has no Taylor expansion around y = 1/a. These forms are adopted here only to examine how different potential symmetrics affect the dynamic evolution of the excited-state packet. The true conical form of eq 5 is the one whose behavior we wish to understand; to that end, we also examine behaviors with the other forms (6-8).