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Volumn 108, Issue 6, 1998, Pages 2473-2485

Valence shell structures in the distributions of the Laplacian of the electron density and the one-electron potential for diatomic molecules

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Indexed keywords


EID: 0001478126     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475630     Document Type: Article
Times cited : (44)

References (41)
  • 1
    • 84981625774 scopus 로고
    • For previous studies in atomic shell structures via various analytical functions of the electron density in position and momentum spaces, see (a) F. J. Galvez and I. Porras, Int. J. Quantum Chem. 56, 157 (1995); (b) K. D. Sen, T. V. Gayatri, and H. Toufar, J. Mol. Struct.: THEOCHEM 361, 1 (1996), and references therein.
    • (1995) Int. J. Quantum Chem. , vol.56 , pp. 157
    • Galvez, F.J.1    Porras, I.2
  • 2
    • 0004889117 scopus 로고    scopus 로고
    • and references therein
    • For previous studies in atomic shell structures via various analytical functions of the electron density in position and momentum spaces, see (a) F. J. Galvez and I. Porras, Int. J. Quantum Chem. 56, 157 (1995); (b) K. D. Sen, T. V. Gayatri, and H. Toufar, J. Mol. Struct.: THEOCHEM 361, 1 (1996), and references therein.
    • (1996) J. Mol. Struct.: THEOCHEM , vol.361 , pp. 1
    • Sen, K.D.1    Gayatri, T.V.2    Toufar, H.3
  • 9
    • 85034276768 scopus 로고    scopus 로고
    • note
    • More precisely, the minima were located in the Laplacian of the spherically averaged radial distribution of ρ(r).
  • 11
  • 18
    • 85034281666 scopus 로고
    • Routledge, London, Also see Ref. 3, p. 102 for Bader's discussion of the quantum potential in the context of a one-electron system
    • For an account of the theory see D. Bohm and B. J. Haley, The Univided Universe (Routledge, London, 1993). Also see Ref. 3, p. 102 for Bader's discussion of the quantum potential in the context of a one-electron system.
    • (1993) The Univided Universe
    • Bohm, D.1    Haley, B.J.2
  • 19
    • 0041113314 scopus 로고    scopus 로고
    • Bohm's quantum potential and the visualization of molecular structure
    • edited by S. Jeffers and G. Hunter (Kluwer Academic, Dordrecht, in press)
    • In an independent development, the use of the one-electron potential for the graphical analysis of electron density was derived from Bader's AIM theory and Bohm's quantum potential by Creon Levit of the NASA AMES research center, M. C. Levit, "Bohm's quantum potential and the visualization of molecular structure," in Causality and Locality in Modern Physics and Astronomy: Open Questions and Possible Solutions, edited by S. Jeffers and G. Hunter (Kluwer Academic, Dordrecht, in press).
    • Causality and Locality in Modern Physics and Astronomy: Open Questions and Possible Solutions
    • Levit, M.C.1
  • 35
    • 85034303296 scopus 로고    scopus 로고
    • Available from Professor R. Bader at McMaster university
    • Available from Professor R. Bader at McMaster university.
  • 38
    • 85034306907 scopus 로고    scopus 로고
    • note
    • 2.
  • 40


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.