Why a Net Bond exists when it appears to be Nonexistent: The Electronic Structures of F2 and Inert Gas Fluorides

  • Nicolaos Demetrios Epiotis
Part of the Lecture Notes in Chemistry book series (LNC, volume 34)


In a previous note1, I gave an example of why an effective bond can exist when a real bond is absent within Single Determinant SCF-MO (SD-SCF-MO) theory. I now consider a much more complex problem, which is soluble only at the level of SCF-MO-CI theory, in order to further illustrate the conceptual and formal advantages of VB-type theories.


Effective Bond Interaction Matrix Element Equilibrium Bond Distance Real Bond Formal Advantage 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1983

Authors and Affiliations

  • Nicolaos Demetrios Epiotis
    • 1
  1. 1.Department of ChemistryUniversity of WashingtonSeattleUSA

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