Theoretical and Experimental Chemistry

, Volume 4, Issue 1, pp 25–27 | Cite as

Use of the virial theorem to calculate molecular force constants. Harmonic force constants of the water molecule

  • V. V. Rossikhin
  • V. P. Morozov
  • A. Ya. Tsaune
Article
  • 46 Downloads

Abstract

The quantum mechanical virial theorem is used to calculate the harmonic part of the potential function for the water molecule on the basis of wave functions obtained in the self-consistent field approximation.

Keywords

Water Molecule Wave Function Potential Function Force Constant Field Approximation 

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Copyright information

© The Faraday Press, Inc. 1970

Authors and Affiliations

  • V. V. Rossikhin
    • 1
  • V. P. Morozov
    • 1
  • A. Ya. Tsaune
    • 1
  1. 1.Dnepropetrovsk Chemical Engineering InstituteRussia

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