Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment

Journal of Chemical Physics

Volumn 118, Issue 9, 2003, Pages 4190-4197

  Kingma, Sikke M ^a   Somers, Mark F ^a   Pijper, Ernst ^a   Kroes, Geert Jan ^a   Olsen, Roar A ^b   Baerends, Evert Jan ^b  

^a LEIDEN UNIVERSITY   (Netherlands)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL REACTIONS; DIFFRACTION; GROUND STATE; MOLECULAR DYNAMICS; PLATINUM; POTENTIAL ENERGY; PROBABILITY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SCATTERING; SURFACES;

DENSITY FUNCTIONAL THEORY; DIFFRACTIVE SCATTERING; GENERALIZED GRADIENT APPROXIMATION; POTENTIAL ENERGY SURFACES; REACTIVE SCATTERING; SIX DIMENSIONAL QUANTUM DYNAMICS;

HYDROGEN INORGANIC COMPOUNDS;

EID: 0037335510     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540981     Document Type: Article

References (64)

1. J. P. Cowin, C. F. Yu, S. J. Sibener, and J. E. Hurst, J. Chem. Phys. 75, 1033 (1981).
2. J. P. Cowin, C. F. Yu, S. J. Sibener, and L. Wharton, J. Chem. Phys. 79, 3537 (1983).
3. H. A. Michelsen, C. T. Rettner, D. J. Auerbach, and R. N. Zare, J. Chem. Phys. 98, 8294 (1993).
4. M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 247, 249 (1995).
5. B. E. Hayden and C. L. A. Lamont, Phys. Rev. Lett. 63, 1823 (1989).
6. A. Hodgson, J. Moryl, P. Traversaro, and H. Zhao, Nature (London) 356, 501 (1992).
7. A. Hodgson, P. Samson, A. Wight, and C. Cottrell, Phys. Rev. Lett. 78, 963 (1997).
8. D. Wetzig, M. Rutkowski, H. Zacharias, and A. Gross, Phys. Rev. B 63, 205412 (2001).
9. H. Hou, S. J. Gulding, C. T. Rettner, A. M. Wodtke, and D. J. Auerbach, Science 277, 80 (1997).
10. C. T. Rettner, D. J .Auerbach, and H. A. Michelsen, Phys. Rev. Lett. 68, 2547 (1992).
11. C. T. Rettner, D. J. Auerbach, and H. A. Michelsen, Phys. Rev. Lett. 68, 1164 (1992).
12. A. C. Luntz, J. K. Brown, and M. D. Williams, J. Chem. Phys. 93, 5240 (1990).
13. P. Samson, A. Nesbitt, B. E. Koel, and A. Hodgson, J. Chem. Phys. 109, 3255 (1998).
14. M. Gostein, E. Watts, and G. O. Sitz, Phys. Rev. Lett. 79, 2891 (1997).
15. M. Gostein, H. Parkikhteh, and G. O. Sitz, Phys. Rev. Lett. 75, 342 (1995).
16. E. Watts and G. O. Sitz, J. Chem. Phys. 114, 4171 (2001).
17. E. Watts, G. O. Sitz, D. A. McCormack, G. J. Kroes, R. A. Olsen, J. A. Groeneveld, J. N. P. van Stralen, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 114, 495 (2001).
18. J. Dai and J. C. Light, J. Chem. Phys. 107, 1676 (1997).
19. J. Dai and J. Z. H. Zhang, J. Chem. Phys. 102, 6280 (1995).
20. G. R. Darling and S. Holloway, J. Chem. Phys. 101, 3268 (1994).
21. M. Dohle and P. Saalfrank, Surf. Sci. 373, 95 (1997).
22. A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 75, 2718 (1995).
23. A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 357-358, 614 (1996).
24. A. Gross and M. Scheffler, Phys. Rev. B 57, 2493 (1998).
25. B. Hammer, M. Scheffler, K. W. Jacobsen, and K. Nørskov, Phys. Rev. Lett. 73, 1400 (1994).
26. G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 78, 3583 (1997).
27. K. B. Whaley, J. C. Light, J. P. Cowin, and S. J. Sibener, Chem. Phys. Lett. 89, 89 (1982).
28. U. Peskin and N. Moiseyev, J. Chem. Phys. 96, 2347 (1992).
29. K. B. Whaley and J. C. Light, J. Chem. Phys. 81, 2144 (1984).
30. G. R. Darling and S. Holloway, Surf. Sci. Lett. 304, L461 (1994).
31. E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 113, 8300 (2000).
32. E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 116, 9435 (2002).
33. E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 117, 5885 (2002).
34. R. A. Olsen, H. F. Busnengo, A. Salin, M. F. Somers, G. J. Kroes, and E. J. Baerends, J. Chem. Phys. 116, 3841 (2002).
35. H. F. Busnengo, A. Salin, and W. Dong, J. Chem. Phys. 112, 7641 (2000).
36. G. R. Darling and S. Holloway, Rep. Prog. Phys. 58, 1595 (1995).
37. G. J. Kroes, Prog. Surf. Sci. 60, 1 (1999).
38. A. Gross, Surf. Sci. Rep. 32, 291 (1998).
39. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
40. M. D. Feit, J. A. Fleck, and A. Steiger, J. Comput. Phys. 47, 412 (1982).
41. J. W. Cooley and J. W. Tukey, Math. Comput. 19, 297 (1965).
42. G. C. Corey and D. Lemoine, J. Chem. Phys. 97, 4115 (1992).
43. D. Lemoine, J. Chem. Phys. 101, 10526 (1994).
44. G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, J. Chem. Soc., Faraday Trans. 86, 1741 (1990).
45. R. C. Mowrey and G. J. Kroes, J. Chem. Phys. 103, 1216 (1995).
46. G. te Velde and E. J. Baerends, Phys. Rev. B 44, 7888 (1991).
47. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
48. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
49. P. H. T. Philipsen, E. van Lenthe, J. G. Snijders, and E. J. Baerends, Phys. Rev. B 56, 13556 (1997).
50. R. A. Olsen, G. J. Kroes, and E. J. Baerends, J. Chem. Phys. 111, 11155 (1999).
51. A. J. Cruz and B. Jackson, J. Chem. Phys. 94, 5715 (1991).
52. J. P. Cowin, C. F. Yu, and L. Wharton, Surf. Sci. 161, 221 (1985).
53. Y. Andersson, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 76, 102 (1996).
54. T. A. Wesolowski, Y. Ellinger, and J. Weber, J. Chem. Phys. 108, 6078 (1998).
55. J. F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 (1999).
56. E. Hult, Ph.D. thesis, Chalmers University of Technology, 1999.
57. H. Rydberg, Ph.D. thesis, Chalmers University of Technology and Göteborg University, 2001.
58. H. F. Busnengo, W. Dong, P. Sautet, and A. Salin, Phys. Rev. Lett. 87, 127601 (2001).
59. E. Watts and G. O. Sitz, J. Chem. Phys. 111, 9791 (1999).
60. B. Gergen, H. Nienhaus, W. H. Weinberg, and E. W. McFarland, Science 294, 2521 (2001).
61. H. F. Busnengo, E. Pijper, M. F. Somers, G. J. Kroes, A. Salin, R. A. Olsen, D. Lemoine, and W. Dong, Chem. Phys. Lett. 356, 515 (2002).
62. J. P. Toennies, in Surface Phonons (Springer, Berlin, 1991), Vol. 21, p. 111.
63. D. Farías and K. H. Rieder, Rep. Prog. Phys. 61, 1575 (1998).
64. J. R. Buckland and W. Allison, J. Chem. Phys. 112, 970 (2000).