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Volumn 68, Issue 3, 2003, Pages 351031-3510315

Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential

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Indexed keywords

SODIUM;

EID: 0345602036     PISSN: 10980121     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (157)

References (104)
  • 9
    • 0344718335 scopus 로고    scopus 로고
    • A. D. Becke, J. Chem. Phys. 98, 1372 (1993); 107, 8554 (1997).
    • (1997) J. Chem. Phys. , vol.107 , pp. 8554
  • 18
    • 0036536206 scopus 로고    scopus 로고
    • F. Della Sala and A. Görling, Phys. Rev. Lett. 89, 033003 (2002); J. Chem. Phys. 116, 5374 (2002).
    • (2002) J. Chem. Phys. , vol.116 , pp. 5374
  • 29
    • 33646606351 scopus 로고    scopus 로고
    • to be published
    • S. Kümmel and J. P. Perdew, Mol. Phys. (to be published). An example of a functional that is too radically nonlocal is the Fermi-Amaldi energy discussed in Ref. 50.
    • Mol. Phys.
    • Kümmel, S.1    Perdew, J.P.2
  • 51
    • 84981642122 scopus 로고
    • xciσ(r), Eq. (1) is the first of a series of equations which assert that the density does not change to any order of many-body perturbation theory along the adiabatic connection. See A. Görling and M. Levy, Int. J. Quantum Chem., Symp. 29, 93 (1995).
    • (1995) Int. J. Quantum Chem., Symp. , vol.29 , pp. 93
    • Görling, A.1    Levy, M.2
  • 70
    • 0004161838 scopus 로고
    • Cambridge University Press, Cambridge, England
    • See, e.g., W. H. Press et al., Numerical Recipes in FORTRAN (Cambridge University Press, Cambridge, England, 1992).
    • (1992) Numerical Recipes in FORTRAN
    • Press, W.H.1
  • 78
    • 4143149514 scopus 로고    scopus 로고
    • S. Kümmel, M. Brack, and P.-G. Reinhard, Phys. Rev. B 62, 7602 (2000); 63, 129902(E) (2001).
    • (2001) Phys. Rev. B , vol.63
  • 79
    • 3543015799 scopus 로고
    • A physically motivated approximation to the exchange potential was given by M. K. Harbola and V. Sahni, Phys. Rev. Lett. 62, 489 (1989), and stimulated some of the current interest in the OEP.
    • (1989) Phys. Rev. Lett. , vol.62 , pp. 489
    • Harbola, M.K.1    Sahni, V.2
  • 84
    • 0000518037 scopus 로고
    • I. Moullet, J. L. Martins, F. Reuse, and J. Buttet, Phys. Rev. Lett. 65, 476 (1990); Phys. Rev. B 42, 11 598 (1990).
    • (1990) Phys. Rev. B , vol.42 , pp. 11598


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