Ab initio molecular dynamics study on Agn (n = 4, 5, 6)

European Physical Journal D

Volumn 10, Issue 1, 2000, Pages 105-114

  Liu, Z F ^a   Yim, W L ^a   Tse, J S ^b   Hafner, J ^c  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^c VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; SILVER;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS METHODS; CATIONICS; DENSITY-FUNCTIONAL-THEORY; DYNAMIC STUDIES; INTERNAL MOTION; PLANAR STRUCTURE; PLANE WAVE; PSEUDOPOTENTIALS; SILVER CLUSTER;

DIMERS;

EID: 0034164879     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1007/s100530050530     Document Type: Article

References (51)

1. W.A. de Heer, Rev. Mod. Phys. 65, 611 (1993).
2. M. Brack, Rev. Mod. Phys. 65., 677 (1993).
3. V. Bonačič-Koutecký, P. Fantucci, J. Koutecký, Chem. Rev. 91, 1035 (1991).
4. R.S. Berry, T.L. Beck, H.L. Davis, J. Jellinek, Adv. Chem. Phys. 70, 75 (1988).
5. A. Bulgac, D. Kusnezov, Phys. Rev. B 45, 1988 (1992).
6. R. Car, M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
7. D.K. Remler, P.A. Madden, Mol. Phys. 70, 921 (1990).
8. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias. J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
9. G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993).
10. G. Kresse, J. Hafner, Phys. Rev. B 49, 14251 (1991).
11. G. Kresse, J. Furthmüller, Comput. Mat. Sci. 6, 15 (1996).
12. G. Kresse, J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
13. J. Jellinek, V. Bonǎcić-Koutecký, P. Fantucci, M. Wiechert, J. Chem. Phys. 101, 10092 (1994).
14. V. Bonačić-Koutecký, J. Jellinek, M. Wiechert, P. Fantucci, J. Chem. Phys. 107, 6321 (1997).
15. U. Röthlisberger, W. Andreoni, J. Chem. Phys. 94, 8129 (1991).
16. J.S. Tse, D.D. Klug, J. Chem. Phys. 101, 473 (1994).
17. D.A. Gibson, E.A. Carter, Chem. Phys. Lett. 271, 266 (1997).
18. T.L. Haslett, K.A. Bosnick, M. Moskovits, J. Chem. Phys. 108, 3453 (1998).
19. J. Ho, K.M. Ervin, W.C. Lineberger, J. Chem. Phys. 93, 6987 (1990).
20. H. Ruppe, S. Rutz, E. Schreiber, L. Wöste, Chem. Phys. Lett. 257, 356 (1996).
21. S. Wolf, G. Sommerer, S. Rutz, E. Schreiber, T. Leisner, L. Wöste, R.S. Berry, Phys. Rev. Lett. 74, 4177 (1995).
22. D.W. Boo, Y. Ozaki, L.H. Andersen, W.C. Lineberger, J. Phys. Chem. A 101, 6686 (1997).
23. V. Beutel, G.L. Bhale, M. Kuhn, W. Demtröder, Chem. Phys. Lett. 185, 313 (1991).
24. B. Simard, P.A. Hackett, A.M. James, P.R.R. Langridge-Smith, Chem. Phys. Lett. 186, 415 (1991).
25. H.G. Krämer, V. Beutel, K. Weyers, W. Demtröder, Chem. Phys. Lett. 193, 331 (1992).
26. K.J. Taylor, C.L. Pettiette-Hall, O. Cheshnovsky, R.E. Smalley. J. Chem. Phys. 96, 3319 (1992).
27. S.B.H. Bach, D.A. Garland, R.J. van Zee, W. Weltner Jr, J. Chem. Phys. 87, 869 (1987).
28. I. Rabin, W. Schulze, G. Ertl, J. Chem. Phys. 108, 5137 (1998).
29. G. Alameddin, J. Hunter, D. Cameron, M.M. Kappe, Chem. Phys. Lett. 192, 122 (1992).
30. H.O. Jeschke, M.E. Garcia, K.H. Bennemann, J. Phys. B: At. Mol. Opt. Phys. 29, L545 (1996).
31. V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, J. Koutecký, J. Chem. Phys. 98, 7981 (1993).]
32. V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, J. Pittner, J. Koutecký, J. Chem. Phys. 100, 490 (1994).
33. R. Poteau, J.L. Heully, F. Spiegelmann, Z. Phys. D 40, 479 (1997).
34. R. Santamaria, I.G. Kaplan, O. Novaro, Chem. Phys. Lett. 218, 395 (1994).
35. W. Andreoni, J.L. Martins, Surf. Sci. 156, 635 (1985).
36. C.W. Bauschlicher Jr, S.R. Langhoff, P.R. Taylor, J. Chem. Phys. 88, 1041 (1988).
37. C.W. Bauschlicher Jr, S.R. Langhoff, H. Partridge, J. Chem. Phys. 91, 2412 (1989).
38. A. Ramírez-Solís, J.P. Daudey, O. Novaro, M.E. Ruíz, Z. Phys. D 15, 71 (1990).
39. K. Balasubramanian, P.Y. Feng, Chem. Phys. Lett. 159, 452 (1989).
40. C.W. Bauschlicher Jr, S.R. Langhoff, H. Partridge, J. Chem. Phys. 93, 8133 (1990).
41. K. Balasubramanian, P.Y. Feng, J. Phys. Chem. 94, 1536 (1990).
42. K.K. Das, K. Balasubramanian, Chem. Phys. Lett. 176, 571 (1991).
43. D.W. Liao, K. Balasubramanian, J. Chem. Phys. 97, 2548 (1992).
44. I.L. Garzón, I.G. Kaplan, R. Santamaria, O. Novaro, J. Chem. Phys. 109, 2177 (1998).
45. I.L. Garzón, I.G. Kaplan, R. Santamaria, B.S. Vaisberg, O. Novaro, Z. Phys. D 40, 202 (1997).
46. I.G. Kaplan, I.L. Gazón, R. Santamaria, B.S. Vaisberg, O. Novaro, Theo. Chem. 398-399, 333 (1997).
47. B. Hartke, E.A. Carter, Chem. Phys. Lett. 216, 324 (1993).
48. D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
49. J.P. Perdew, in Electronic Structure of Solids'91, edited by P. Ziesche, H. Eschrig (Adademie Verlag, Berlin, 1991), p. 11.
50. G. Kresse, J. Hafner, J. Phys. Cond. Matt. 6, 8245 (1994).
51. S. Nosé, J. Chem. Phys. 81, 511 (1984).