The Physical Interpretation of VB Configuration Wavefunctions

  • N. D. Epiotis
  • J. R. Larson
  • H. L. Eaton
Part of the Lecture Notes in Chemistry book series (LNC, volume 29)

Abstract

One of the main reasons why VB theory has never been developed into a powerful qualitative theory of chemical bonding lies in the fact that the CW basis has been regarded as a short, long, or interminable, depending on the system at hand, list of functions which cannot be classified in a physically meaningful manner which projects their interrelationships and the role that they play in determining the relative energies of ground and excited states of one or more systems. In this section we develop a physical model for the interpretation of VB wavefunctions which is based on three novel constructs:
  1. a)

    The concept of the elementary bond.

     
  2. b)

    The concept of the elementary structure.

     
  3. c)

    The concept of intrinsic, direct, and indirect coupling between elementary bonds and structures.

     

Keywords

Allyl 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Copyright information

© Springer-Verlag Berlin Heidelberg 1982

Authors and Affiliations

  • N. D. Epiotis
    • 1
  • J. R. Larson
    • 2
  • H. L. Eaton
    • 1
  1. 1.Department of ChemistryUniversity of WashingtonSeattleUSA
  2. 2.Department of ChemistryUniversity of ChicagoChicagoUSA

Personalised recommendations