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Volumn 61, Issue 5, 1997, Pages 835-845

Density-gradient analysis for density functional theory: Application to atoms

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EID: 0039296584     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)61:5<835::AID-QUA9>3.0.CO;2-X     Document Type: Article
Times cited : (82)

References (34)
  • 3
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    • Oxford University Press, Oxford
    • R. M. Dreizler and E. K. U. Gross, Density Functional Theory: An Approach to the Quantum Many Body Problem (Springer-Verlag, Berlin, 1990); R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
    • (1989) Density-Functional Theory of Atoms and Molecules
    • Parr, R.G.1    Yang, W.2
  • 4
    • 0002851019 scopus 로고
    • P. Ziesche and H. Eschrig, Eds. Akademie Verlag, Berlin
    • J. P. Perdew, in Electronic Structure of Solids '91, P. Ziesche and H. Eschrig, Eds. (Akademie Verlag, Berlin, 1991), pp. 11-20.
    • (1991) Electronic Structure of Solids '91 , pp. 11-20
    • Perdew, J.P.1
  • 6
    • 11644268721 scopus 로고
    • 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); Ibid. 48, 4978 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 4978
  • 8
    • 5944261746 scopus 로고
    • J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid. 34, 7406 (1986).
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 9
    • 4043083704 scopus 로고
    • J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid. 34, 7406 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
  • 25
    • 85033189576 scopus 로고
    • CRYSTAL 88, Bloomington, IN
    • R. Dovesi et al., CRYSTAL 88, QCPE Program No. 577 (Bloomington, IN, 1989).
    • (1989) QCPE Program No. 577 , vol.577
    • Dovesi, R.1
  • 30
    • 0004825460 scopus 로고
    • Ibid
    • H. Schmider, R. P. Sagar, and V. H. Smith, Jr., J. Chem. Phys. 94, 8627 (1991); Ibid., Can. J. Chem. 70, 506 (1992).
    • (1992) Can. J. Chem. , vol.70 , pp. 506


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