Test of approximations to surface motion in gas-surface dynamics: Linear versus quadratic coupling for Ts = 0 K

Journal of Physical Chemistry B

Volumn 106, Issue 33, 2002, Pages 8422-8428

  Wang, Z S ^a,b   Darling, G R ^a   Jackson, B ^c   Holloway, S ^a  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^c UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DISSOCIATION; HAMILTONIANS; MOLECULAR DYNAMICS; MOLECULES; POTENTIAL ENERGY; VECTORS;

SURFACE MOTION;

SURFACE CHEMISTRY;

EID: 0037158987     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020938+     Document Type: Article

References (44)

1. Dynamics of gas-Surface Interactions; Rettner, C.T., Ashfold, M.N.R., Eds.; Royal Society of Chemistry: London, 1991.
2. Darling, G.R.; Holloway, S. Rep. Prog. Phys. 1995, 58, 1595.
3. Gostein, M.; Parhikhteh, H.; Sitz, G.O. Phys. Rev. Lett. 1995, 75, 342.
4. Hodgson, A.; Samson, P.; Wight, A.; Cottrell, C. Phys. Rev. Lett. 1997, 78, 963.
5. Gillan, M.J. Contemp. Phys. 1997, 38, 115.
6. Kroes, G.J. Prog. Surf. Sci. 1999, 60, 1.
7. Wang, Z.S.; Darling, G.R.; Holloway, S. Phys. Rev. Lett. 2001, 87, 6102.
8. Michelsen, H.A.; Rettner, C.T.; Auerbach, D.J. In Surface Reactions; Madix, R.J., Ed.; Springer: Berlin, 1993; p 123.
9. Murphy, M.J.; Hodgson, A. J. Chem. Phys. 1998, 108, 4199.
10. Gostein, M.; Watts, E.; Sitz, G.O. Phys. Rev. Lett. 1997, 79, 2891.
11. Watts, E.; Sitz, G.O. J. Chem. Phys. 1999, 111, 9791.
12. Watts, E.; Sitz, G.O. J. Chem. Phys. 2001, 114, 4171.
13. Darling, G.R.; Kay, M.; Holloway, S. Surf. Sci. 1998, 400, 314.
14. Gross, A.; Scheffler, M. Phys. Rev. 1998, B 57, 2493.
15. Busnengo, H.F.; Dong, W.; Salin, A. Chem. Phys. Lett. 2000, 320, 328.
16. Busnengo, H.F.; Crespos, C.; Dong, W.; Salin, A.; Rayez, J.C. Phys. Rev. 2001, B 63, 041402.
17. Busnengo, H.F.; Dong, W.; Sautet, P.; Salin, A. Phys. Rev. Lett. 2001, 87, 7601.
18. Crespos, C.; Busnengo, C.; Dong, W.; Salin, A. J. Chem. Phys. 2001, 114, 10954.
19. Gross, A.; Wilke, S.; Scheffler, M. Phys. Rev. Lett. 1995, 75, 2718.
20. Stiles, M.D.; Wilkins, J.W.; Persson, M. Phys. Rev. 1986, B 34, 4490.
21. Jackson, B. J. Comput. Phys. 1992, 97, 6792.
22. Saalfrank, P.; Baer, R.; Kosloff, R. Chem. Phys. Lett. 1994, 230, 463.
23. Pesce, L.; Saalfrank, P. J. Chem. Phys. 1998, 108, 3045.
24. Jackson, B. J. Chem. Phys. 1998, 108, 1131.
25. Logan, R.M.; Stickney, R.E. J. Chem. Phys. 1965, 44, 195.
26. Logan, R.M.; Keck, J.C. J. Chem. Phys. 1968, 49, 860.
27. Dino, W.A.; Kasai, H.; Okiji, A. Prog. Surf. Sci. 2000, 63, 63.
28. Brenig, W.; Hilf, M.F. J. Phys.: Condens. Matter 2001, 13, R61.
29. Luntz, A.C.; Harris, J. Surf. Sci. 1991, 258, 397.
30. Jackson, B. Chem. Phys. Lett. 1999, 308, 456.
31. Trail, J.R.; Graham, M.C.; Bird, D.M.; Persson, M.; Holloway, S. Phys. Rev. Lett. 2002, 88, 166802.
32. Hand, M.; Harris, J. J. Chem. Phys. 1990, 92, 7610.
33. Barker, J.A.; Auerbach, D.J. Surf. Sci. Rep. 1979, 4, 1.
34. Doll, J.D.; Myers, L.E.; Adelman, S.A. J. Chem. Phys. 1975, 63, 4908.
35. Hensel, M.; Korsch, H.J. J. Phys. 1992, A25, 2043.
36. Dohle, M.; Saalfrank, P. Surf. Sci. 1997, 373, 95.
37. Feit, M.D.; Fleck, J.A., Jr.; Steiger, A. J. Comput. Phys. 1982, 47, 412.
38. Darling, G.R.; Wang, Z.S.; Holloway, S. Phys. Chem. Chem. Phys. 2000, 2, 911.
39. Tal-Ezer, H.; Kosloff, R. J. Chem. Phys. 1984, 81, 3967.
40. Wang, Z.S.; Darling, G.R.; Holloway, S., Eds., 2002, in preparation.
41. Wang, Z.S.; Darling, G.R.; Holloway, S. Surf. Sci. 2000, 458, 63.
42. Kroes, G.J.; Wiesenekker, G.; Baerends, E.J.; Mowrey, R.C. Phys. Rev. 1996, B53, 10397.
43. Darling, G.R.; Holloway, S. Surf. Sci. 1994, 321, L189.
44. Wang, Z.S.; Darling, G.R.; Holloway, S. Surf. Sci. 2002, 504, 66.