Application of discrete transform methods to reactive scattering in curvilinear coordinates: Dissociative adsorption of H2 on Ni

Journal of the Chemical Society - Faraday Transactions

Volumn 93, Issue 5, 1997, Pages 949-955

  Carré, Marie Noëlle ^a   Jackson, Bret ^a   Lemoine, Didier ^b  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748631321     PISSN: 09565000     EISSN: None     Source Type: Journal    
DOI: 10.1039/a605805a     Document Type: Article

References (81)

1. G. R. Darling and S. Holloway, Rep. Prog. Phys., 1995, 58, 1595.
2. B. Jackson, Annu. Rev. Phys. Chem., 1995, 46, 251.
3. H. A. Michelsen, C. T. Rettner and D. J. Auerbach, in Surface Reactions, ed. R. J. Madix, Springer, Berlin, 1993, p. 123.
4. K. D. Rendulic and A. Winkler, Surf. Sci., 1994, 299/300, 261.
5. J. Sheng and J. Z. H. Zhang, J. Chem. Phys., 1992, 96, 3866;
6. J. Sheng and J. Z. H. Zhang, J. Chem. Phys., 1992, 97, 6784.
7. J. Sheng and J. Z. H. Zhang, J. Chem. Phys., 1993, 99, 1373;
8. J. Dai, J. Sheng and J. Z. H. Zhang, J. Chem. Phys., 1994, 101, 1555.
9. G. R. Darling and S. Holloway, Faraday Discuss., 1993, 96, 43;
10. Surf. Sci., 1994, 307-309, 153.
11. P. Saalfrank and W. Miller, J. Chem. Phys., 1993, 98, 9040.
12. R. C. Mowrey, J. Chem. Phys., 1993, 99, 7049.
13. G. R. Darling and S. Holloway, J. Chem. Phys., 1994, 101, 3268.
14. J. Dai and J. Z. H. Zhang, J. Chem. Phys., 1995, 102, 6280.
15. U. Nielsen, D. Halsted, S. Holloway and J. K. Nørskov, J. Chem. Phys., 1990, 93, 2879.
16. G. J. Kroes, G. Wiesenekker, E. J. Baerends and R. C. Mowrey, Phys. Rev. B, 1996, 53, 10397.
17. A. Gross, B. Hammer, M. Scheffler and W. Brenig, Phys. Rev. Lett., 1994, 73, 3121;
18. A. Gross, S. Wilke and M. Scheffler, Phys. Rev. Lett., 1995, 75, 2718;
19. A. Gross and M. Scheffler, Chem. Phys. Lett., 1996, 256, 417.
20. J. V. Lill, G. A. Parker and J. C. Light, Chem. Phys. Lett., 1982, 89,483;
21. J. C. Light, I. P. Hamilton and J. V. Lill, J. Chem. Phys., 1985, 82, 1400.
22. M. D. Feit, J. A. Fleck Jr. and A. Steiger, J. Comput. Phys., 1982, 47, 412;
23. M. D. Feit and J. A. Fleck Jr., J. Chem. Phys., 1983, 78, 301;
24. M. D. Feit and J. A. Fleck Jr., J. Chem. Phys., 1984, 80, 2578.
25. D. Kosloff and R. Kosloff, J. Comput. Phys., 1983, 52, 35;
26. R. Kosloff and D. Kosloff, J. Chem. Phys., 1983, 79, 1823;
27. R. Kosloff, J. Phys. Chem., 1988, 92, 2087;
28. Annu. Rev. Phys. Chem., 1994, 45, 145.
29. R. C. Mowrey and D. J. Kouri, Chem. Phys. Lett., 1985, 119, 285;
30. J. Chem. Phys., 1986, 84, 6466.
31. R. I. Hall, I. Cadez, M. Landau, F. Pichou and C. Schermann, Phys. Rev. Lett., 1988, 60, 337;
32. C. Schermann, F. Pichou, M. Landau, I. Cadez and R. I. Hall, J. Chem. Phys., 1994, 101, 8152.
33. P. J. Eenschustra, J. H. M. Bonnie, J. Los and H. J. Hopmann, Phys. Rev. Lett., 1988, 60, 341.
34. K. R. Lykke and B. D. Kay, in Laser Photoionization and Desorption Surface Analysis Techniques, ed. N. S. Nogar, SPIE, Bellingham, WA, 1990, vol. 208, p. 18.
35. C. T. Rettner, Phys. Rev. Lett., 1992, 69, 383;
36. J. Chem. Phys., 1994, 101, 1529;
37. C. T. Rettner and D. J. Auerbach, Science, 1994, 263, 365;
38. Phys. Rev. Lett., 1995, 74, 4551;
39. J. Chem. Phys., 1996, 104, 2732.
40. C. C. Cheng, S. R. Lucas, H. Gutleben, W. J. Choyke and J. T. Yates Jr., J. Am. Chem. Soc., 1992, 114, 1249.
41. D. D. Koleske, S. M. Gates and J. A. Schultz, J. Chem. Phys., 1993, 99, 5619;
42. D. D. Koleske and S. M. Gates, J. Chem. Phys., 1993, 99, 8218.
43. D. D. Koleske, S. M. Gates and B. Jackson, J. Chem. Phys., 1994, 101, 3301.
44. T. A. Jachimowski and W. H. Weinberg, J. Chem. Phys., 1994, 101, 10997.
45. E. W. Kuipers, A. Vardi, A. Danon and A. Amirav, Phys. Rev. Lett., 1991, 66, 116;
46. Surf. Sci., 1992, 261, 299.
47. B. Jackson and M. Persson, J. Chem. Phys., 1992, 96, 2378;
48. Surf. Sci., 1992, 269/270, 195.
49. P. Kratzer and W. Brenig, Surf. Scii., 1991, 254, 275.
50. B. Jackson, M. Persson and B. D. Kay, J. Chem. Phys., 1994, 100, 7687.
51. M. Persson and B. Jackson, J. Chem. Phys., 1995, 102, 1078.
52. M. Persson and B. Jackson, Chem. Phys. Lett., 1995, 237, 468;
53. B. Jackson and M. Persson, J. Chem. Phys., 1995, 103, 6257;
54. Springer Series in Solid State Sciences, Elementary Processes in Excitations and Reactions on Solid Surfaces, ed. A. Okiji, H. Kosai and M. Makoshi, Springer-Verlag, Berlin, 1996, vol. 121.
55. D. Lemoine, Comput. Phys. Commun., 1997, 99, 297.
56. G. C. Corey and D. Lemoine, J. Chem. Phys., 1992, 97, 4115.
57. G. C. Corey, J. W. Tromp and D. Lemoine, in Numerical Grid Methods and Their Application to Schrödinger's Equation, ed. C. Cerjan, Kluwer Academic, Dordrecht, 1993, p. 1.
58. M. J. Bramley, J. W. Tromp, T. Carrington Jr. and G. C. Corey, J. Chem. Phys., 1994, 100, 6175.
59. D. Lemoine, Chem. Phys. Lett., 1994, 224, 483.
60. D. Lemoine, J. Chem. Phys., 1994, 101, 3936.
61. D. Lemoine, J. Chem. Phys., 1994, 101, 10526.
62. G. C. Corey and J. W. Tromp, J. Chem. Phys., 1995, 103, 1812.
63. D. Lemoine, Comput. Phys. Commun., 1996, 97, 331.
64. G. C. Corey and R. J. LeRoy, J. Chem. Phys., submitted.
65. F. Lado, J. Comput. Phys., 1971, 8, 417.
66. E. Stade and E. G. Layton, Comput. Phys. Commun., 1995, 85, 336.
67. C. Leforestier, J. Chem. Phys., 1994, 101, 7357.
68. J. H. McCreery and G. Wolken Jr., J. Chem. Phys., 1975, 63, 4072;
69. J. H. McCreery and G. Wolken Jr., J. Chem. Phys., 1976, 64, 2845;
70. J. H. McCreery and G. Wolken Jr., J. Chem. Phys., 1977, 67, 2551.
71. R. C. Mowrey and D. J. Kouri, J. Chem. Phys., 1987, 86, 6140.
72. R. Viswanathan, S. Shi, E. Vilallonga and H. Rabitz, J. Chem. Phys., 1989, 91, 2333.
73. J. Dai and J. Z. H. Zhang, J. Phys. Chem., 1996, 100, 6898.
74. D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys., 1994, 101, 1146.
75. R. Kosloff and C. Cerjan, J. Chem. Phys., 1984, 81, 3721
76. D. Neuhauser and M. Baer, J. Chem. Phys., 1989, 90, 4351.
77. C. Temperton, J. Comput. Phys., 1983, 52, 1.
78. D. T. Colbert and W. H. Miller, J. Chem. Phys., 1992, 96, 1982.
79. R. C. Mowrey, J. Chem. Phys., 1991, 94, 7098.
80. R. Kosloff, in ref. 35, p. 175.
81. D. Lemoine and B. Jackson, work in progress.