Local correlation energies of two-electron atoms and model systems

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 56, Issue 1, 1997, Pages 290-296

  Huang, Chien Jung ^a   Umrigar, C J ^b  

^a Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

^b Department of Obstetrics Gynecology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRONIC DENSITY OF STATES; IONS; KINETIC THEORY; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES;

HAMILTONIAN; LOCAL CORRELATION ENERGIES; MODEL SYSTEMS; TWO ELECTRON ATOMS;

ELECTRONS;

EID: 0031185958     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.56.290     Document Type: Article

References (24)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).PHRVAO
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133, (1965).PHRVAO
3. N. H. March, Phys. Rev. A 36, 5077 (1987).PLRAAN
4. A. D. Becke, Phys. Rev. A 33, 3098 (1988).PLRAAN
5. N. R. Kestner and O. Sinanoḡlu, Phys. Rev. 128, 2687 (1962).PHRVAO
6. P. M. Laufer and J. B. Krieger, Phys. Rev. A 33, 1480 (1986).PLRAAN
7. S. K. Ghosh and A. Samantha, J. Chem. Phys. 94, 517 (1991).JCPSA6
8. S. Kais, D. R. Herschbach, N. C. Handy, C. W. Murray, and G. J. Laming, J. Chem. Phys. 99, 417 (1993).JCPSA6
9. M. Taut, Phys. Rev. A 48, 3561 (1993).PLRAAN
10. C. Filippi, C. J. Umrigar, and M. Taut, J. Chem. Phys. 100, 1290 (1994).JCPSA6
11. The wave function used is a minor modification of that in D. E. Freund, B. D. Huxtable, and J. D. Morgan, Phys. Rev. A 29, 980 (1984). The wave function used in this paper is the 491-term wave function described in Ref. 12 except that the 14 terms, that have zero coefficients in the infinite series limit, have been omitted.PLRAAN
12. C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).PLRAAN
13. M. Levy, Proc. Natl. Acad. Sci. 76, 6062 (1979;); PNASA6
14. Phys. Rev. A 26, 1200 (1982).PLRAAN
15. V. Sahni and M. Levy, Phys. Rev. B 33, 3869 (1986).PRBMDO
16. S. J. Chakravorty and E. R. Davidson, J. Chem. Phys. 100, 6167 (1996).JCPSA6
17. J. Linderberg and H. Shull, J. Mol. Spectrosc. 5, 1 (1960).JMOSB4
18. E. A. Hylleraas, Z. Phys. 65, 209 (1930).ZEPYAA
19. J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 13 105 (1981).PLRAAN
20. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).PLRAAN
21. M. Levy, Phys. Rev. A 43, 4637 (1991).PLRAAN
22. C. Filippi, X. Gonze, and C. J. Umrigar, in Recent Developments and Applications of Density Functional Theory, edited J. M. Seminario (Elsevier, Amsterdam, 1996).
23. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).PRBMDO
24. S. Ivanov and K. Burke (unpublished).