Multidimensional calculation of time-resolved photoelectron angular distributions: The internal conversion dynamics of pyrazine

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4432-4443

  Suzuki, Yoshi Ichi ^a   Stener, Mauro ^b   Seideman, Tamar ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; HAMILTONIANS; IMAGING TECHNIQUES; IONIZATION; MOLECULAR VIBRATIONS; ORGANIC COMPOUNDS; PARTIAL DIFFERENTIAL EQUATIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

INTERNAL CONVERSION DYNAMICS; NONPERTURBATIVE QUANTUM MECHANICAL THEORY; PHOTOELECTRON ENERGY DISTRIBUTIONS; PYRAZINE; SHORT EXCITATION PULSE; TIME DELAYED IONIZATION PULSE; TIME RESOLVED PHOTOELECTRON ANGULAR DISTRIBUTIONS; TIME RESOLVED PHOTOELECTRON IMAGING;

MOLECULAR DYNAMICS;

EID: 0037426162     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1536981     Document Type: Article

References (65)

1. Reviews of the field of femtochemistry include A. H. Zewail, Femtochemistry: Ultrafast Dynamics of the Chemical Bond (World Scientific, Singapore, 1994)
2. J. C. Polanyi and A. H. Zewail, Acc. Chem. Res. 28, 119 (1995)
3. D. Zhong and A.H. Zewail, J. Phys. Chem. A 102, 4031 (1998).
4. For a review ofthe concept, theory and application of time-resolved differential cross sections, see T. Seideman, Annu. Rev. Phys. Chem. 53, 41 (2002).
5. S.W. Allendorf, D. J. Leahy, D. C. Jacobs, and R. N. Zare, J. Chem. Phys. 91, 2216 (1989)
6. D. J. Leahy, K. L. Reid, H. Park, and R. N. Zare, ibid. 97, 4948 (1992)
7. H. Park and R. N. Zare, ibid. 106, 2239 (1997).
8. M.P. Strand, J. Hansen, R.-L. Chien, and R.S. Berry, Chem. Phys. Lett. 59, 205 (1978).
9. G. Leuchs, S. J. Smith, E. Khawaja, and H. Walther, Opt. Commun. 31, 313 (1979).
10. K. L. Reid, S. P. Duxon, and M. Towrie, Chem. Phys. Lett. 228, 351 (1994).
11. T. Suzuki, L. Wang, and H. Kohguchi, J. Chem. Phys. 111, 4859 (1999)
12. L. Wang, H. Kohguchi, and T. Suzuki, Faraday Discuss. 113, 37 (1999).
13. J. A. Davies, J. E. LeClaire, R. E. Continetti, and C. C. Hayden, J. Chem. Phys. 111, 1 (1999).
14. For a measurement of picosecond-resolved photoelectron angular distribution, see K. L. Reid, T. A. Field, M. Towrie, and P. Matousek, J. Chem. Phys. 111, 1438 (1999).
15. T. Seideman, J. Chem. Phys. 107, 7859 (1997).
16. T. Seideman, Phys. Rev. A 64, 042501-1 (2001).
17. S.C. Althorpe and T. Seideman, J. Chem. Phys. 110, 147 (1999).
18. Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy, Chem. Phys. Lett. 302, 363 (1999).
19. T. Seideman and S. C. Althorpe, J. Electron. Spectrosc. Relat. Phenom. 108, 99 (2000).
20. S. C. Althorpe and T. Seideman, J. Chem. Phys. 113, 7901 (2000).
21. T. Seideman, J. Chem. Phys. 113, 1677 (2000).
22. For early reviews about nonradiative transitions see, for instance, (a) J. Jortner, S. A. Rice, and R. M. Hochstrasser, Adv. Photochem. 7, 149 (1969)
23. (b) B. R. Henry and W. Siebrand, in Molecular Luminescence, editedby E. C. Lim (Benjamin, New York, 1969), p. 423.
24. (c) E. C. Lim, ibid., p. 469.
25. (d) M. A. El-Sayed, ibid., p. 715
26. (e) K. F. Freed, in Radiationless Processes in Molecules and Condensed Phases, edited by F. K. Fong (Springer, Berlin, 1976), p. 23.
27. Time resolved photoelectron spectroscopy studies of radiationless transitions are reported in Refs. 28, 30-37.
28. R. W. Schoenlin, L. A. Peteanu, R. A. Mathies, and C. V. Shank, Science 254 412 (1991).
29. J. Jortner and M. Ratner, Molecular Electronics (Blackwell, Oxford, 1997).
30. C. C. Hayden et al. (unpublished).
31. W. Domcke and G. Stock, Adv. Chem. Phys., edited by I. Prigogine and S. A Rice (Wiley, New York, 1997), Vol. 100, and references therein.
32. C. Woywod, W. Domcke, A. L. Sobolewski, and H.-J. Werner, J. Chem. Phys. 100, 1400 (1994).
33. G. Stock, C. Woywod, W. Domcke, T. Swinney, and B. S. Hudson, J. Chem. Phys. 103, 6851 (1995).
34. L. Sneider, W. Domcke, and W. von Niessen, Chem. Phys. Lett. 205, 117 (1993).
35. M. Seel and W. Domcke, J. Chem. Phys. 95, 7806 (1991).
36. A. Kühl and W. Domcke, Chem. Phys. 259, 227 (2000)
37. J. Chem. Phys. 116, 263 (2002).
38. V. Stert, P. Farmanara, and W. Radloff, J. Chem. Phys. 112, 4460 (2000).
39. Y. Suzuki, M. Stener, and T. Seideman, Phys. Rev. Lett. 89, 233002 (2002).
40. N. Thantu and P. M. Weber, Chem. Phys. Lett. 214, 276 (1993).
41. B. Kim, C. P. Schick, and P. M. Weber, J. Chem. Phys. 103, 6903 (1995).
42. D. R. Cyr and C. C. Hayden, J. Chem. Phys. 104, 771 (1996).
43. W. Radloff, V. Stert, T. Freudenberg, I. V. Hertel, C. Jouyet, C. Dedonder-Lardeux, and D. Solgadi, Chem. Phys. Lett. 281, 20 (1997).
44. V. Blanchet, M. Z. Zgierski, T. Seideman, and A. Stolow, Nature (London) 401, 52 (1999).
45. V. Blanket, S. Lochbrunner, M. Schmitt, J. P. Shaffer, J. J. Larsen, M. Z. Zgierski, T. Seideman, and A. Stolow, Faraday Discuss 115, 33 (2000).
46. M. Tsubouchi, B. J. Whitaker, L. Wang, H. Kohguchi, and T. Suzuki, Phys. Rev. Lett. 86, 4500 (2001).
47. V. Blanchet, M. Z. Zgierski, and A. Stolow, J. Chem. Phys. 114, 1194 (2001)
48. M. Schmitt, S. Lochbrunner, J. P. Shaffer, J. J. Larsen, M. Z. Zgierski, and A. Stolow, ibid. 114, 1206 (2001).
49. R. S. Mulliken, Phys. Rev. 59, 873 (1941).
50. R. N. Zare, Angular Momentum. Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York, 1988).
51. F. C. Von Der Lage and H. A. Bethe, Phys. Rev. 71, 612 (1947).
52. P. G. Burke, N. Chandra, and F. A. Gianturco, J. Phys. B 5, 2212 (1972).
53. N. Chandra, J. Phys. B 20, 3405 (1987).
54. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
55. D. Toffoli, M. Stener, G. Fronzoni, and P. Decleva. Chem. Phys. 276, 25 (2002).
56. E. J. Baerends, D. E. Ellis, and P. Ros Chem. Phys. 2, 41 (1973).
57. C.F. Guerra, J. G. Snijders, G. te Velde, and E. J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
58. R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 241 (1994).
59. M. Stener, S. Furlan, and P. Decleva, J. Phys. B 33, 1081 (2000).
60. S. J. A. van Gisbergen, V. P. Osinga, O. V. Gritsenko, R. van Leeuwen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 105, 3142 (1996).
61. M. Brosolo and P. Decleva, Chem. Phys. 159, 185 (1992).
62. A. R. Barnett, Comput. Phys. Commun. 27, 147 (1982).
63. P. Weber and J. R. Reimers, J. Phys. Chem. A 103, 9830 (1999).
64. J. J. Larsen, K. Hald, N. Bjerre, H. Stapelfeldt, and T. Seideman, Phys. Rev. Lett. 85, 2470 (2000).
65. J. A. Davies, R. E. Continetti, D. W. Chandler, and C. C. Hayden, Phys. Rev. Lett. 84, 5983 (2000).