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Volumn 62, Issue 5, 2000, Pages 052511-052511

Symmetry of the atomic electron density in Hartree, Hartree-Fock, and density-functional theories

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SPECTROSCOPY; CARRIER CONCENTRATION; CRYSTAL SYMMETRY; ELECTRON ENERGY LEVELS; HARMONIC ANALYSIS; METHOD OF MOMENTS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; WAVE EQUATIONS;

EID: 17744364053     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.62.052511     Document Type: Article
Times cited : (45)

References (21)
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    • In the literature, the expression "Hartree approximation" has been used in two senses. (1) The electrons are acted on by the potential of the nucleus and the total electronic charge distribution: and (2) the electronic self-interaction is removed. In this paper, we use the simpler (1), but our conclusions apply to (2) as well
    • In the literature, the expression "Hartree approximation" has been used in two senses. (1) The electrons are acted on by the potential of the nucleus and the total electronic charge distribution: and (2) the electronic self-interaction is removed. In this paper, we use the simpler (1), but our conclusions apply to (2) as well.
  • 4
    • 0000573746 scopus 로고
    • J.C. Slater, Phys. Rev. 35, 210 (1930); V. Fock, Z. Phys. 61, 126 (1930).
    • (1930) Phys. Rev. , vol.35 , pp. 210
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    • 34250926854 scopus 로고
    • J.C. Slater, Phys. Rev. 35, 210 (1930); V. Fock, Z. Phys. 61, 126 (1930).
    • (1930) Z. Phys. , vol.61 , pp. 126
    • Fock, V.1
  • 6
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    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964); W. Kohn and L. Sham, ibid. 140, 1133 (1965).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 7
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964); W. Kohn and L. Sham, ibid. 140, 1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.2
  • 8
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    • A discussion of spherical averaging for effective potentials containing a self-interaction correction may be found in J.G. Harrison, J. Chem. Phys. 78, 4562 (1983).
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    • Harrison, J.G.1
  • 10
    • 0009659156 scopus 로고
    • J.F. Janak and A.R. Williams, Phys. Rev. B 23, 6301 (1981); F.W. Kutzler and G.S. Painter, Phys. Rev. Lett. 59, 1285 (1987).
    • (1981) Phys. Rev. B , vol.23 , pp. 6301
    • Janak, J.F.1    Williams, A.R.2
  • 14
    • 0038235632 scopus 로고    scopus 로고
    • A. Goerling, Phys. Rev. A 47, 2783 (1993); 59, 3359 (1999).
    • (1999) Phys. Rev. A , vol.59 , pp. 3359
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    • private communication
    • A.K. Theophilou (private communication).
    • Theophilou, A.K.1
  • 21
    • 0342391358 scopus 로고    scopus 로고
    • Second-order corrections to the energy may be shown to be derivable directly from first-order corrections to the wave functions
    • Second-order corrections to the energy may be shown to be derivable directly from first-order corrections to the wave functions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.