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Volumn 105, Issue 15, 1996, Pages 6471-6489

Nonlinear electronic responses, Fukui functions and hardnesses as functionals of the ground-state electronic density

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000623635     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472498     Document Type: Article
Times cited : (143)

References (92)
  • 6
    • 33645895170 scopus 로고
    • edited by G. K. Horton and A. A. Maradudin North-Holland, Amsterdam
    • A. G. Eguiluz and A. A. Quong, in Dynamical Properties of Solids, edited by G. K. Horton and A. A. Maradudin (North-Holland, Amsterdam, 1995), Vol. 7.
    • (1995) Dynamical Properties of Solids , vol.7
    • Eguiluz, A.G.1    Quong, A.A.2
  • 33
  • 55
    • 0346948866 scopus 로고
    • K. Fukui, Science 218, 747 (1982).
    • (1982) Science , vol.218 , pp. 747
    • Fukui, K.1
  • 68
    • 85033053209 scopus 로고
    • The definition of hardness η used in the present work is consistent with these very recent papers and differs from the earlier one (Ref. 13) by a (convention) factor of 2
    • P. K. Chattaraj, A. Cedillo, and R. G. Parr, J. Chem. Phys. 104 (1995). The definition of hardness η used in the present work is consistent with these very recent papers and differs from the earlier one (Ref. 13) by a (convention) factor of 2.
    • (1995) J. Chem. Phys. , vol.104
    • Chattaraj, P.K.1    Cedillo, A.2    Parr, R.G.3
  • 71
    • 85033049278 scopus 로고    scopus 로고
    • We assume by hypothesis that h(r) allows a such expansion. The limitations of this assumption are discussed at the end of the present paper
    • We assume by hypothesis that h(r) allows a such expansion. The limitations of this assumption are discussed at the end of the present paper.
  • 74
    • 84926703452 scopus 로고
    • edited by G. K. Horion and A. A. Maradudin North-Holland, Amsterdam, Chap. 5
    • L. J. Sham, in Dynamical Properties of Solids, edited by G. K. Horion and A. A. Maradudin (North-Holland, Amsterdam, 1974), Vol. 1, Chap. 5.
    • (1974) Dynamical Properties of Solids , vol.1
    • Sham, L.J.1
  • 75
    • 85033046355 scopus 로고    scopus 로고
    • note
    • The values of the hardness reported in the text are taken from Ref. 32 where they are deduced from a finite difference approximation of the curvature of E vs N. For a discussion of the physical meaning of a such energy derivative see the discussion at the end of the present paper.
  • 83
    • 33645884018 scopus 로고
    • and references therein
    • See, for example, A. Scheidmann and R. M. Dreizler, Z. Phys. D 2, 43 (1986), and references therein.
    • (1986) Z. Phys. D , vol.2 , pp. 43
    • Scheidmann, A.1    Dreizler, R.M.2
  • 89
    • 0000656483 scopus 로고
    • and references therein
    • V. Russier, Phys. Rev. B 45, 8894 (1992), and references therein.
    • (1992) Phys. Rev. B , vol.45 , pp. 8894
    • Russier, V.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.