A Zero-Order Electronic Structure Model for Ionic Diatomic Molecules

  • Robert W. Field


An atomic-ion-in-molecule electrostatic model for the valence state electronic structure of MX diatomic molecules (M=Ca-Cu, Ba-Hf, X=H, F, O) is proposed. The generalized Rittner1, multiconfiguration crystal field model, which is expected to be valid in the rre region of internuclear separation, makes quantitative, predictive use of the Periodic Table via atomic spectral data and ab initio atomic-ion orbitals 1-4.


Diatomic Molecule Laser Spectroscopy Rare Earth Oxide Thermochemical Property Molecular Constant 
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Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • Robert W. Field
    • 1
  1. 1.Department of ChemistryMassachusetts Institute of TechnologyCambridgeUSA

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