A new one-parameter progressive Colle-Salvetti-type correlation functional

Journal of Chemical Physics

Volumn 110, Issue 22, 1999, Pages 10664-10678

  Tsuneda, Takao ^a   Suzumura, Toshihisa ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000437189     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479012     Document Type: Article

References (45)

1. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
2. T. Tsuneda and K. Hirao, Chem. Phys. Lett. 268, 510 (1997).
3. R. Colle and O. Salvetti, Theor. Chim. Acta 37, 329 (1975).
4. A. K. Rajagopal, J. C. Kimball, and M. Banerjee, Phys. Rev. B 18, 2339 (1978).
5. A. K. Rajagopal, Adv. Chem. Phys. 41, 59 (1980).
6. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
7. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
8. E. Clementi, Tables of Atomic Functions, supplement to E. Clementi, IBM J. Res. Dev. 9, 2 (1965).
9. C. W. Murray, N. C. Handy, and G. J. Laming, Mol. Phys. 78, 997 (1993).
10. M. W. Gill, B. G. Johnson, J. A. Pople, and M. J. Frisch, Chem. Phys. Lett. 197, 499 (1992).
11. V. I. Lebedev, Zh. Vychisl. Mat. Mat. Fiz. 15, 48 (1975)
12. [USSR Comput. Math. Matters Phys. 16, 293 (1976).]
13. A. D. Becke, J. Chem. Phys. 88, 1053 (1988).
14. J. C. Slater, Phys. Rev. 81, 385 (1951).
15. P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26, 376 (1930).
16. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
17. A. Wilson, T. van Mourik, and T. H. Dunning, Jr., J. Mol. Struct.: THEOCHEM 388, 339 (1997).
18. C. Fillipi, X. Gonze, and C. J. Umriger, in Recent Developments and Applications of Modern Density Functional Theory, edited by J. M. Seminario (Elsevier, Netherlands, 1996), and references therein.
19. M. Levy and J. P. Perdew, Phys. Rev. B 48, 11638 (1993).
20. J. P. Perdew and Y. Wang, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
21. D. C. Langreth and M. J. Mehl, Phys. Rev. B 28, 1809 (1983). Erratum: ibid. 29, 2310 (1984).
22. L. C. Wilson and M. Levy, Phys. Rev. B 41, 12930 (1990).
23. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
24. S.-K. Ma and K. A. Brueckner, Phys. Rev. 165, 18 (1968).
25. L. Kleinman and S. Lee, Phys. Rev. B 37, 4634 (1988).
26. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
27. E. H. Lieb and S. Oxford, Int. J. Quantum Chem. 19, 427 (1981).
28. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
29. M. Levy, Int. J. Quantum Chem. S23, 617 (1989).
30. S. Ivanov and M. Levy, J. Phys. Chem. A 102, 3151 (1998), and references therein.
31. A. Görling and M. Levy, Phys. Rev. A 45, 1509 (1992).
32. M. Levy, Phys. Rev. A 43, 4637 (1991).
33. T. V. Voorhis and G. E. Scuseria, J. Chem. Phys. 109, 400 (1998).
34. L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991), and references therein.
35. S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A 47, 3649 (1993).
36. S. J. Chakravorty and E. R. Davidson, J. Phys. Chem. 100, 6167 (1996).
37. A. Veillard and E. Clementi, J. Chem. Phys. 49, 2415 (1968).
38. 7R. K. Nesbet, T. L. Barr, and E. R. Davidson, Chem. Phys. Lett. 4, 203 (1969).
39. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
40. M. Filatov and W. Thiel, Int. J. Quantum Chem. 62, 603 (1997).
41. R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
42. A. D. McLean and G. S. Chandler, J. Chem. Phys. 72, 5639 (1980).
43. M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
44. A. D. Becke, J. Chem. Phys. 98, 5684 (1993).
45. R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd Edition, (Academic, London, 1992).