Physical Interpretation of the Interactions of CW’s:“Ionic” Versus “Covalent” Delocalization

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


In perturbation theory the interaction of two nondegenerate CW’s, Φi and Φj is expressed by the following equations:89
$$\delta {E_i} = {({H_{ij}} - {E_i}{S_{ij}})^2}/{E_i} - {E_j}$$
$$\delta {E_j} = {({H_{ij}} - {E_j}{S_{ij}})^2}/{E_j} - {E_i}$$
Clearly, the interaction depends on three key factors:
  1. 1.

    The energy gap separating Φi and Φj,|Ei − Ej|, denoted by ΔE.

  2. 2.

    The interaction matrix element Hij.

  3. 3.

    The overlap integral Sij.





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