Potential functionals: Dual to density functional and solution to the v-representability problem

Physical Review Letters

Volumn 92, Issue 14, 2004, Pages

  Yang, Weitao ^a   Ayers, Paul W ^b   Wu, Qin ^a  

^a DUKE UNIVERSITY   (United States)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; FUNCTIONS; GROUND STATE; ION EXCHANGE; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; THEOREM PROVING;

EXTERNAL POTENTIALS; GROUND STATE ENERGY; HOHENBERG-KOHN THEORY; POTENTIAL FUNCTIONALS;

HIGH ENERGY PHYSICS;

EID: 2542472774     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.146404     Document Type: Article

References (25)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. R. G. Parr, R. A. Donnelly, M. Levy, and W. E. Palke, J. Chem. Phys. 68, 3801 (1978).
3. M. Levy, Phys. Rev. A 26, 1200 (1982).
4. H. Englisch and R. Englisch, Physica (Amsterdam) 121A, 253 (1983).
5. E.H. Lieb, Int. J. Quantum Chem. 24, 243 (1983).
6. M. Levy, Proc. Natl. Acad. Sci. U.S.A. 76, 6062 (1979).
7. T. L Gilbert, Phys. Rev. B 12, 2111 (1975).
8. S. M. Valone, J. Chem. Phys. 73, 1344 (1980).
9. See EPAPS Document No. E-PRLTAO-059412 for additional detailed proofs of the two theorems and their validity for degenerate systems. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www. aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
10. W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965).
11. R. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
12. R.T. Sharp and O.K. Horton, Phys. Rev. 90, 317 (1953).
13. J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
14. V Sahni, J. Gruenebaum, and J. P. Perdew, Phys. Rev. B 26, 4371 (1982).
15. Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003).
16. A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994).
17. A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980).
18. T. Grabo, T. Kreibich, S. Kurth, and E. Gross, in Strong Coulomb Correlations in Electronic Structure: Beyond the Local Density Approximation, edited by V. Anisimovn (Gordon and Breach Science Publishers, Amsterdam, 2000), pp. 203-311.
19. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
20. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
21. W. Yang and Q. Wu, Phys. Rev. Lett. 89, 143002 (2002).
22. S. Kuemmel and J. Perdew, Phys. Rev. Lett. 90, 043004 (2003).
23. Q. Wu and W. Yang, J. Theor. Comput. Chem. 2, 627 (2003).
24. C. A. Ullrich and W. Kohn, Phys. Rev. Lett. 87, 093001 (2001).
25. M. Levy and J. R Perdew, Phys. Rev. A 32, 2010 (1985).