Theoretica chimica acta

, Volume 54, Issue 1, pp 1–14 | Cite as

Molecular orbital theory of the electronic structures of one-dimensional molecular crystals

  • Akira Imamura
  • Kazuyoshi Tanaka
  • Tokio Yamabe
  • Kenichi Fukui
Original Investigations
  • 41 Downloads

Abstract

A non-empirical tight-binding LCAO SCF MO treatment of one-dimensional molecular crystals based on the SCF perturbation theory is presented. The simpler version of this method at the level of the CNDO/2 approximation is also given.

Key words

One-dimensional molecular crystals Crystals, one-dimensional molecular ∼ 

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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • Akira Imamura
    • 1
  • Kazuyoshi Tanaka
    • 2
  • Tokio Yamabe
    • 2
  • Kenichi Fukui
    • 2
  1. 1.Department of ChemistryShiga University of Medical ScienceOtsuJapan
  2. 2.Deparment of Hydrocarbon Chemistry, Faculty of EngineeringKyoto UniversityKyotoJapan

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