Exchange energy in density-functional theory: A nonlocal approximation based on a self-consistent determination of the α parameter of the Slater [Formula Presented] theory

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 57, Issue 6, 1998, Pages 4306-4310

  Cortona, Pietro ^a  

^a ECOLE CENTRALE PARIS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0343846502     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.57.4306     Document Type: Article

References (14)

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2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).PRVAAH
3. A large set of references can be found in R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989);or in R. M. Dreizler and E. K. U. Gross, Density-Functional Theory (Springer-Verlag, Berlin, 1990).
4. J. C. Slater, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974).
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6. J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).PLRAAN
7. The fact that the optimized potential proposed in Ref. 6 is the exact potential of the exchange-only density-functional theory was pointed out by V. Sahni, J. Gruenebaum, and J. P. Perdew, Phys. Rev. B 26, 4371 (1982). PRBMDO
8. See also the detailed discussion given by D. C. Langreth and M. J. Mehl, Phys. Rev. B 28, 1809 (1983).PRBMDO
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12. V. Sahni, Y. Li, and M. K. Harbola, Phys. Rev. A 45, 1434 (1992).PLRAAN
13. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).PRBMDO
14. M. K. Harbola and V. Sahni, Phys. Rev. Lett. 62, 489 (1989). PRLTAO