Applications of spectral-representation model as a potential method for Cu clusters

Journal of Computational Chemistry

Volumn 17, Issue 8, 1996, Pages 1056-1067

  Tatewaki, Hiroshi ^a   Katsuki, Shinichi ^b   Sakai, Yoshiko ^b   Miyoshi, Eisaku ^b  

^a NAGOYA CITY UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347919741     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199606)17:8<1056::AID-JCC13>3.0.CO;2-C     Document Type: Article

References (49)

1. (a) P. J. Hay and W. R. Wadt, J. Chem. Phys., 82, 270 (1985)
2. (b) W. R. Wadt and P. J. Hay, J. Chem. Phys., 82, 284 (1985)
3. (c) P. J. Hay and W. R. Wadt, J. Chem. Phys., 82, 299 (1985).
4. (a) L. F. Pacios and P. A. Christiansen, J. Chem. Phys., 82, 2665 (1985)
5. (b) M, M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Rass, and W. C. Ermler, J. Chem. Phys., 84, 6840 (1986).
6. (a) M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys., 86, 886 (1987), and J. Chem. Phys., 86, 2123 (1987)
7. (a) M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys., 86, 886 (1987), and J. Chem. Phys., 86, 2123 (1987)
8. (b) G. Igel-Mann, H. Stoll, and H. Preuss, Mol. Phys., 65, 1321 (1988)
9. (c) M. Dolg, H. Stoll, A. Savin, and H. Preuss, Theor. Chim. Acta, 75, 173 (1989)
10. (d) M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys., 90, 1730 (1989).
11. (a) G. H. Jeung, J. C. Barthelat, and M. Pelissier, Chem. Phys. Lett., 91, 81 (1982)
12. (b) Y. Bouteiller, C. Mijoule, M. Nizam, J. C. Barthelat, J. P. Daudey, M. Pelissier, and B. Silvi, Mol. Phys., 65, 295 (1988)
13. (c) W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem., 70, 612 (1991).
14. (a) Y. Sakai and S. Huzinaga, J. Chem. Phys., 76, 2537 (1982), and J. Chem. Phys., 76, 2552 (1982)
15. (a) Y. Sakai and S. Huzinaga, J. Chem. Phys., 76, 2537 (1982), and J. Chem. Phys., 76, 2552 (1982)
16. (b) S. Huzinaga, M. Klobukowski, and Y. Sakai, J. Phys. Chem., 88, 4880 (1984)
17. (c) Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comput. Chem., 8, 226 (1987), and J. Comput. Chem., 8, 256 (1987).
18. (c) Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comput. Chem., 8, 226 (1987), and J. Comput. Chem., 8, 256 (1987).
19. L. G. M. Petterson, U. Wahlgren, and O. Groppen, J. Chem. Phys., 86, 886 (1987).
20. (a) L. Seijo, Z. Barandiaran, and S. Huzinaga, J. Chem. Phys., 91, 7011 (1989), and J. Chem. Phys., 93, 5843 (1990)
21. (a) L. Seijo, Z. Barandiaran, and S. Huzinaga, J. Chem. Phys., 91, 7011 (1989), and J. Chem. Phys., 93, 5843 (1990)
22. (b) Z. Barandiaran and L. Seijo, J. Chem. Phys., 89, 5739 (1988), and Can. J. Chem., 70, 409 (1992).
23. (b) Z. Barandiaran and L. Seijo, J. Chem. Phys., 89, 5739 (1988), and Can. J. Chem., 70, 409 (1992).
24. (a) S. Katsuki and S. Huzinaga, Chem. Phys. Lett., 152, 203 (1988)
25. (b) S. Katsuki, Chem. Phys. Lett., 165, 535 (1990)
26. (c) S. Huzinaga, S. Katsuki, and O. Matsuoka, J. Math. Chem., 10, 25 (1992).
27. (a) S. Katsuki, Can. J. Chem., 70, 285 (1992)
28. (b) S. Katsuki, J. Chem. Phys., 98, 496 (1993).
29. M. B. Knickelbein, Chem. Phys. Lett., 192, 129 (1992).
30. J. Ho, K. M. Ervin, and W. C. Lineberger, J. Chem. Phys., 93, 6987 (1990).
31. K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys., 96, 3319 (1992).
32. H. Tatewaki and S. Huzinaga, J. Chem. Phys., 71, 4339 (1979), and J. Chem. Phys., 72, 399 (1980).
33. H. Tatewaki and S. Huzinaga, J. Chem. Phys., 71, 4339 (1979), and J. Chem. Phys., 72, 399 (1980).
34. S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, and H. Tatewaki, Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam and New York, 1984.
35. S. Huzinaga and M. Klobukowski, J. Mol. Struct. (Theochem.), 167, 1 (1988).
36. S. F. Boys and F. Bernardy, Mol. Phys., 19, 553 (1970).
37. A. Meunier, B. Levy, and G. Berthier, Theor. Chim. Acta (Berlin), 29, 49 (1973).
38. A. Johansson, P. Kollmann, and S. Rothenberg, Theor. Chim. Acta (Berlin), 29, 167 (1973).
39. M. Urban and P. Hobza, Theor. Chim. Acta (Berlin), 36, 215 (1975).
40. H. Tatewaki, E. Miyoshi, and T. Nakamura, J. Chem. Phys., 76, 5073 (1983).
41. D. P. Post and E. J. Baerends, Chem. Phys. Lett., 86, 176 (1982).
42. P. A. Cox, M. Benard, and A. Veillard, Chem. Phys. Lett., 87, 159 (1982).
43. E. Miyoshi, H. Tatewaki, and T. Nakamura, J. Chem. Phys., 78, 815 (1983).
44. M. Tomonari, H. Tatewaki, and T. Nakamura, J. Chem. Phys., 80, 344 (1984).
45. M. Tomonari, H. Tatewaki, and T. Nakamura, J. Chem. Phys., 85, 2875 (1986).
46. H. Tatewaki, M. Tomonari, and T. Nakamura, J. Chem. Phys., 88, 6419 (1988).
47. H. Tatewaki and M. Tomonari, Can. J. Chem., 70, 642 (1992).
48. M. A. Nygren, P. Siegbahn, U. Wahlgren, and H. Åkeby, J. Chem. Phys., 96, 3633 (1992).
49. H. Åkeby, I. Panns, L. G. M. Pettersson, P. Siegbahn, and U. Wahlgren, J. Chem. Phys., 94, 5471 (1990).