Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: An ab initio electronic state study

Journal of Chemical Physics

Volumn 128, Issue 15, 2008, Pages

  Yonehara, Takehiro ^a   Takatsuka, Kazuo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ELECTROMAGNETIC FIELDS; ELECTRONIC STATES; MEAN FIELD THEORY; MOLECULAR ORBITALS; QUANTUM THEORY;

INTENSE LASER FIELD; NONADIABATIC ELECTRON WAVEPACKET DYNAMICS; QUANTUM ELECTRON WAVEPACKET DYNAMICS;

MOLECULAR DYNAMICS;

EID: 42449138820     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2904867     Document Type: Article

References (72)

1. L. D. Landau, Phys. Z. Sowjetunion 2, 46 (1932).
2. C. Zener, Proc. R. Soc. London, Ser. A 137, 696 (1932).
3. E. C. G. Stueckelberg, Helv. Phys. Acta 5, 369 (1932).
4. P. Pechukas, Phys. Rev. 181, 174 (1969).
5. W. H. Miller and T. F. George, J. Chem. Phys. 56, 5637 (1972).
6. W. H. Miller and C. W. McCurdy, J. Chem. Phys. 69, 5163 (1978).
7. H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979).
8. C. A. Mead and D. G. Truhlar, J. Chem. Phys. 77, 6090 (1982).
9. K. Takatsuka and H. Nakamura, J. Chem. Phys. 85, 5779 (1986).
10. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
11. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
12. C. Zhu and H. Nakamura, J. Chem. Phys. 102, 7448 (1995).
13. E. R. Bittner and P. J. Rossky, J. Chem. Phys. 0021-9606 10.1063/1.470177 103, 8130 (1995); E. R. Bittner and P. J. Rossky, J. Chem. Phys. 107, 8611 (1997).
14. K. F. Wong and P. Rossky, J. Chem. Phys. 0021-9606 10.1063/1.1468886 116, 8418 (2002); K. F. Wong and P. Rossky, J. Chem. Phys. 116, 8429 (2002).
15. C. Zhu and H. Nakamura, J. Chem. Phys. 106, 2599 (1997).
16. X. Sun and W. H. Miller, J. Chem. Phys. 106, 6346 (1997).
17. G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997).
18. M. Ben-Nun and T. J. Martnez, J. Chem. Phys. 108, 7244 (1998).
19. M. D. Hack, A. M. Wensmann, D. G. Truhlar, M. Ben-Nun, and T. J. Martnez, J. Chem. Phys. 115, 1172 (2001).
20. A. W. Jasper, M. D. Hack, A. Chakradorty, D. G. Truhlar, and P. Piecuch, J. Chem. Phys. 115, 7945 (2001).
21. R. Baer, D. J. Kouri, M. Baer, and D. K. Hoffman, J. Chem. Phys. 119, 6998 (2003).
22. C. Zhu, S. Nangia, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 121, 7658 (2004).
23. C. Zhu, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 120, 5543 (2004).
24. M. F. Herman and M. P. Moody, J. Chem. Phys. 122, 094104 (2005).
25. P. Oloyede, G. Mil'nikov, and H. Nakamura, J. Chem. Phys. 124, 144110 (2006).
26. V. Krishna, J. Chem. Phys. 127, 134107 (2007).
27. N. Ananth, C. Venkataraman, and W. H. Miller, J. Chem. Phys. 127, 084114 (2007).
28. J. R. Schmidt and J. C. Tully, J. Chem. Phys. 127, 094103 (2007).
29. C. M. Isborn, X. Li, and J. C. Tully, J. Chem. Phys. 127, 134307 (2007).
30. M. S. Child, Molecular Collision Theory (Academic, New York, 1974); Semiclassical Mechanics With Molecular Approximations (Clarendon, Oxford, 1991).
31. H. Nakamura, Nonadiabatic Transition (World Scientific, Singapore, 2002).
32. A. Jasper, B. K. Kendrick, C. A. Mead, and D. G. Truhlar, Modern Trends in Chemical Reaction Dynamics Part I, edited by, X. Yang, and, K. Liu, (World Scientific, Singapore, 2004), Chap..
33. M. Baer, Beyond Born-Oppenheimer (Wiley, Hoboken, NJ, 2006).
34. H. Ushiyama and K. Takatsuka, Angew. Chem., Int. Ed. 46, 587 (2007).
35. M. Amano and K. Takatsuka, J. Chem. Phys. 122, 084113 (2005).
36. M. Hentschel, R. Kienberger, C. Spielmann, G. A. Reider, N. Milosevi, T. Brabec, C. Corkum, U. Heinzmann, M. Drescher, and F. Krausz,. Nature (London) 414, 509 (2001).
37. H. Niikura, F. Ĺgaŕ, R. Hasban, A. D. Bandrauk, M. Y. Ivanov, D. M. Villeneuve, and P. B. Corkum, Nature (London) 417, 917 (2002).
38. A. Baltuška, Th. Udem, M. Uiberacker, M. Hentschel, E. Goulielmakis, Ch. Gohle, R. Holzwarth, V. S. Yakovlev, A. Scrinzi, A. Hänsch, and F. Krausz, Nature (London) 421, 611 (2003).
39. Y. Mairesse, A. de Bohan, L. J. Frasinski, H. Merdji, L. C. Dinu, P. Monchicourt, P. Breger, M. Kovačev, T. Auguste, B. Carr̀, H. G. Muller, P. Agostini, and P. Salìres, Phys. Rev. Lett. 93, 163901 (2004).
40. Y. Nabekawa, T. Shimizu, T. Okino, K. Furusawa, K. Hasegawa, K. Yamanouchi, and K. Midorikawa, Phys. Rev. Lett. 96, 083901 (2006).
41. J. J. Carrera, X. M. Tong, and S.-I. Chu, Phys. Rev. A 74, 023404 (2006).
42. Y. I. Salamin, S. Hu, K. Z. Hatsagortsyan, and C. H. Keitel, Phys. Rep. 427, 41 (2006).
43. K. Harumiya, I. Kawata, H. Kono, and Y. Fujimura, J. Chem. Phys. 113, 8953 (2000).
44. E. Deumens, A. D. H. Taylor, and Y. Öhrn, J. Chem. Phys. 96, 6820 (1992).
45. E. Deumens, A. D. R. Longo, and Y. Öhrn, Rev. Mod. Phys. 66, 917 (1994).
46. J. Broeckhove, M. D. Coutinho-Neto, E. Deumens, and Y. Öhrn, Phys. Rev. A 56, 4996 (1997).
47. M. Elshakre and F. Kong, Trends Chem. Phys. 10, 179 (2002).
48. P. Kr̀l, I. Thanopulos, and M. Shapiro, Rev. Mod. Phys. 79, 53 (2007).
49. M. Uhlmann, T. Kunert, F. Grossmann, and R. Schmidt, Phys. Rev. A 67, 013413 (2003).
50. K. Yagi, and K. Takatsuka, J. Chem. Phys. 123, 224103 (2005).
51. M. Baer, J. Phys. Chem. A 110, 6571 (2006).
52. B. Sarkar, S. Adhikari, and M. Baer, J. Chem. Phys. 127, 014301 (2007).
53. I. Last and M. Baer, J. Chem. Phys. 82, 4954 (1984).
54. A. Giusti-Suzor, F. H. Mies, L. F. DiMauro, E. Charron, and B. Yang, J. Phys. B 28, 309 (1995).
55. J. H. Posthumus, Rep. Prog. Phys. 67, 623 (2004).
56. P. Krause, T. Klamroth, and P. Saalfrank, J. Chem. Phys. 123, 074105 (2005).
57. T. Klamroth, J. Chem. Phys. 124, 144310 (2006).
58. H. B. Schlegel, S. M. Smith, and X. Li, J. Chem. Phys. 126, 244110 (2007).
59. S. Ramakrishna and T. Seideman, Phys. Rev. Lett. 99, 103001 (2007).
60. S. S. Viftrup, V. Kumarappan, S. Trippel, H. Stapelfeldt, E. Hamilton, and T. Seideman, Phys. Rev. Lett. 99, 143602 (2007).
61. N. A. Nguyen and A. D. Bandrauk, Phys. Rev. A 73, 032708 (2006).
62. I. Kawata, H. Kono, and Y. Fujimura, J. Chem. Phys. 110, 11152 (1999).
63. K. Takatsuka, J. Chem. Phys. 124, 064111 (2006).
64. K. Takatsuka, J. Phys. Chem. A 111, 10196 (2007).
65. J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976).
66. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, and S. J. Su, J. Comput. Chem. 14, 1347 (1993).
67. H. Tal-Ezer and R. Kosloff, J. Chem. Phys. 81, 3967 (1984).
68. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
69. Y. Ohtsuki, H. Kono, and Y. Fujimura, J. Chem. Phys. 109, 9318 (1998).
70. W. Zhu and H. Rabitz, J. Chem. Phys. 109, 9318 (1998).
71. T. Brixner, G. Krampert, T. Pfeifer, R. Selle, G. Gerber, M. Wollenhaupt, O. Graefe, C. Horn, D. Liese, and T. Baumert, Phys. Rev. Lett. 92, 208301 (2004).
72. T. Yonehara and K. Takatsuka (unpublished).