Connections between high-density scaling limits of DFT correlation energies and second-order Z-1 quantum chemistry correlation energy

Journal of Physical Chemistry A

Volumn 102, Issue 18, 1998, Pages 3151-3156

  Ivanov, Stanislav ^a   Levy, Mel ^a  

^a Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001528658     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9731415     Document Type: Article

References (32)

1. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
2. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
3. Levy, M. Proc. Natl. Acad. Sci. U.S.A. 1979, 76, 6062; Levy, M. Bull Am. Phys. Soc. 1979, 24, 626.
4. Levy, M. Proc. Natl. Acad. Sci. U.S.A. 1979, 76, 6062; Levy, M. Bull Am. Phys. Soc. 1979, 24, 626.
5. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University: Oxford, 1989; references therein.
6. Dreizler, R. M.; Gross, E. K. U. Density Functional Theory; Springer; Berlin, 1990; references therein.
7. Levy, M.; Perdew, J. P. Phys. Rev. A 1985, 32, 2010.
8. Umrigar, C. J.; Gonze, X. Phys. Rev. A 1994, 50, 3827.
9. Filippi, C.; Gonze, X.; Umrigar, C. J. In Recent Developments and Applications of Density Functional Theory, Theoretical and Computational Chemistry, Volume 4; Seminario, J., Ed.; Elservier: Amsterdam, 1996.
10. Ivanova, E. P.; Safronova, U. I. J. Phys. B: At. Mol. Opt. Phys. 1975, 8, 1591 and references therein.
11. (A) Chakravorty, S. J.; Davidson, E. R. J. Phys. Chem. 1996, 100, 6167;
12. (B) Chakravorty, S. J.; Gwaltney, S. R.; Davidson, E. R.; Parpia, F. A.; Fisher, C. F. Phys. Rev. A 1993, 47, 3649; Davidson, E. R.; Hagstrom, S. A.; Chakravorty, S. J.; Umar, V. M.; Fisher, C. F. Phys. Rev. A 1991, 44, 7071.
13. (B) Chakravorty, S. J.; Gwaltney, S. R.; Davidson, E. R.; Parpia, F. A.; Fisher, C. F. Phys. Rev. A 1993, 47, 3649; Davidson, E. R.; Hagstrom, S. A.; Chakravorty, S. J.; Umar, V. M.; Fisher, C. F. Phys. Rev. A 1991, 44, 7071.
14. Löwdin, P.-O. Adv. Chem. Phys. 1959, 2, 207.
15. Linderberg, J.; Shull, H. J. Mol. Spectrosc. 1960, 5, 1 and references therein.
16. For a review see Baker, J. D.; Freund, D. E.; Hill, R. N.; Morgan, III, J. D. Phys. Rev. A 1990, 41, 1247.
17. Levy, M. Phys. Rev. A 1991, 43, 4637 and references therein.
18. Görling, A.; Levy, M. Phys. Rev. B 1993, 47, 13105.
19. Görling, A.; Levy, M. Int. J. Quantum Chem. Symp. 1995, 29, 93; Görling, A.; Levy, M. Phys. Rev. A 1995, 51, 2851.
20. Görling, A.; Levy, M. Int. J. Quantum Chem. Symp. 1995, 29, 93; Görling, A.; Levy, M. Phys. Rev. A 1995, 51, 2851.
21. Ivanov, S.; Lopez-Boada, R.; Görling, A.; Levy, M., accepted to J. Chem. Phys.
22. Perdew, J. P.; McMullen, E. R.; Zunger, A. Phys. Rev. A 1981, 23, 2785.
23. Stoll, H.; Savin, A. In Density Functional Methods in Physics; Dreizler, R. M., daProvidencia, J., Eds.; Plenum: New York, 1985.
24. Görling, A.; Levy, M. J. Chem. Phys. 1997, 106, 2675.
25. Perdew. J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865; Phys. Rev. Lett. 1997, 78, 1396.
26. Perdew. J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865; Phys. Rev. Lett. 1997, 78, 1396.
27. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
28. Wilson, L. C.; Levy, M. Phys Rev. B 1990, 41, 12930.
29. Kestner, N. R.; Sinanoglou, O. Phys. Rev. 1962, 128, 2687.
30. Filippi, C.; Umrigar, C. J.; Taut, M. J. Chem. Phys. 1994, 100, 1290 and references therein.
31. Huang, C. J.; Umrigar, C. J. Phys. Rev. A 1997, 56, 290.
32. Ivanov, S.; Levy, M., unpublished results.