On the accuracy of valence correlation energies in pseudopotential calculations

Journal of Chemical Physics

Volumn 104, Issue 11, 1996, Pages 4061-4067

  Dolg, M ^a  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 14344267584     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471219     Document Type: Article

References (26)

1. S. Huzinaga, M. Klobukowski, and Y. Sakai, J. Phys. Chem. 88, 4880 (1984);
2. S. Huzinaga, L. Seijo, Z. Barandiarán, and M. Klobukowski, J. Chem. Phys. 86, 2132 (1987).
3. M. Krauss and W. J. Stevens, Annu. Rev. Phys. Chem. 35, 357 (1984);
4. P. A. Christiansen, W. C. Ermler, and K. S. Pitzer, Annu. Rev. Phys. Chem. ibid. 36, 407 (1985);
5. K. Balasubramanian and K. S. Pitzer, Adv. Chem. Phys. 77, 287 (1987).
6. W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985).
7. W. Küchle, M. Dolg, H. Stoll, and H. Preuss, Mol. Phys. 74, 1245 (1991).
8. B. Pittel and W. H. E. Schwarz, Chem. Phys. Lett. 46, 121 (1977).
9. C. Teichteil, J. P. Malrieu, and J. C. Barthelat, Mol. Phys. 33, 181 (1977).
10. M. Klobukowski, Chem. Phys. Lett. 172, 361 (1990).
11. L. Seijo, Z. Barandiarán, and S. Huzinaga, Chem. Phys. Lett. 192, 217 (1992).
12. M. Douglas and N. M. Kroll, Ann. Phys. 82, 89 (1974);
13. B. A. Hess, Phys. Rev. A 33, 3742 (1986);
14. G. Jansen and B. A. Hess, Phys. Rev. A ibid. 39, 6016 (1989).
15. D. E. Woon and T. H. Dunning, J. Chem. Phys. 100, 2975 (1994).
16. A. Bergner, M. Dolg, W. Küchle, H. Stoll, and H. Preuss, Mol. Phys. 80, 1431 (1993);
17. M. Dolg, Thesis, Universität Stuttgart, 1989.
18. J. C. Barthelat and P. Durand, Gazz. Chim. Ital. 108, 225 (1978).
19. P. A. Christiansen, Y. S. Lee, and K. S. Pitzer, J. Chem. Phys. 71, 4445 (1979).
20. L. F. Pacios and P. A. Christiansen, J. Chem. Phys. 82, 2664 (1985);
21. M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. ibid. 84, 6840 (1986);
22. L. A. LaJohn, P. A. Christiansen, R. B. Ross, T. Atashroo, and W. C. Ermler, J. Chem. Phys. ibid. 87, 2812 (1987).
23. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. M. Pitzer, A. J. Stone, and P. R. Taylor; H.-J. Werner, and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988);
24. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988);
25. H.-J. Werner and P. J. Knowles, Theor. Chim. Acta 78, 175 (1990);
26. C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992).