Natural orbital functional for the many-electron problem

Physical Review Letters

Volumn 81, Issue 4, 1998, Pages 866-869

  Goedecker, S ^a   Umrigar, C J ^b  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000588905     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.81.866     Document Type: Article

References (25)

1. R. G. Parr, and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
2. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).
3. A. D. Becke, Phys. Rev. A, 38, 3098 (1988);
4. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988);
5. B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett., 157, 200 (1988);
6. J. P. Perdew, and Y. Wang, Phys. Rev. B, 33, 8800 (1986);
7. J. P. Perdew, Phys. Rev. B, 33, 8822 (1986);
8. Phys. Rev. BJ. P. Perdew, 34, 7406(E) (1986).
9. P. Hohenberg, and W. Kohn, Phys. Rev., 136, B864 (1964).
10. W. Kohn, and L. J. Sham, Phys. Rev., 140, A1133 (1965).
11. M. Levy, and J. P. Perdew, Phys. Rev. A, 32, 2010 (1985).
12. M. Levy, Proc. Natl. Acad. Sci. U.S.A., 76, 6062 (1979).
13. S. M. Valone, J. Chem. Phys., 73, 1344 (1980);
14. J. Chem. Phys.S. M. Valone, 73, 4653 (1980).
15. M. Levy, in Density Matrices and Density Functionals, R. Erdahl and V. H. Smith (Reidel Publishing, Dordrecht, 1987).
16. R. A. Donelly, and R. G. Parr, J. Chem. Phys., 69, 4431 (1978);
17. G. Zumbach, and K. Maschke, J. Chem. Phys., 82, 5604 (1985).
18. P. O. Löwdin, Phys. Rev., 97, 1474 (1955).
19. E. R. Davidson, Reduced Density Matrices in Quantum Chemistry (Academic Press, New York, NY, 1976).
20. S. Goedecker, and C. J. Umrigar, Phys. Rev. A, 55, 1765 (1997).
21. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Phys. Rev. Lett., 49, 1691 (1982);
22. J. P. Perdew, and M. Levy, Phys. Rev. Lett., 51, 1884 (1983).
23. E. R. Davidson, S. A. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A, 44, 7071 (1991);
24. S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A, 47, 3649 (1993).
25. W. Kutzelnigg, Theor. Chim. Acta, 1, 343 (1963).