Il Nuovo Cimento D

, Volume 12, Issue 1, pp 139–141 | Cite as

Fukui function: the MO viewpoint revisited

  • M. Giambiagi
  • M. Segre de Giambiagi
Note Brevi


It is shown that the density functional definition of the Fukui function leads, when applied to the LCAO-MO formulation, to the familiar density contour maps of the frontier orbitals.

PACS 31.10

General theory of electronic structure, transitions and chemical binding 


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Copyright information

© Societá Italiana di Fisica 1990

Authors and Affiliations

  • M. Giambiagi
    • 1
  • M. Segre de Giambiagi
    • 1
  1. 1.Centro Brasileiro de Pesquisas FísicasRio de JaneiroBrasil

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