Degenerate ground states and a fractional number of electrons in density and reduced density matrix functional theory

Physical Review Letters

Volumn 84, Issue 22, 2000, Pages 5172-5175

  Yang, Weitao ^a   Zhang, Yingkai ^a   Ayers, Paul W ^b  

^a DUKE UNIVERSITY   (United States)

^b UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000486590     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.84.5172     Document Type: Article

References (13)

1. P. Hohenberg and W. Kohn, Phys. Rev. B, 136, 864 (1964).
2. W. Kohn and L. Sham, Phys. Rev. A, 140, 1133 (1965).
3. M. Levy, Proc. Natl. Acad. Sci. U.S.A., 76, 6062 (1979).
4. R. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
5. M. Levy, Phys. Rev. A, 26, 1200 (1982).
6. E. H. Lieb, Int. J. Quantum Chem., 24, 243 (1983).
7. S. M. Valone, J. Chem. Phys., 73, 4653 (1980).
8. J. P. Perdew, in Density Functional Methods in Physics, R. M. Dreizler (Plenum Press, New York, 1985), pp. 265–308.
9. J. P. Perdew and M. Levy, Phys. Rev. B, 56, 16 021 (1997).
10. Y. Zhang and W. Yang, J. Chem. Phys., 109, 2604 (1998).
11. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., Phys. Rev. Lett., 49, 1691 (1982).
12. A. Savin, in Recent Developments and Applications of Modern Density Functional Theory, J. M. Seminario (Elsevier, Amsterdam, 1996), p. 327.
13. P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Theor. Chem. Acc., 99, 329 (1998).