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Dipole Moment Surfaces and Radiative Properties

  • Debra J. Searles
  • Ellak I. von Nagy-Felsobuki
Part of the Lecture Notes in Chemistry book series (LNC, volume 61)

Abstract

There are very few ab initio dipole moment surfaces reported in the literature [1]. It is customary to calculate the partial derivative(s) of the hypersurface surface at small displacements from the equilibrium geometry. To this end it is more convenient to refer the electric dipole moment to the rotating axis system. That is,
$${\mu _s} = \sum\limits_\alpha {C{s_\alpha }{\mu _a}} $$
(30.1)
where the subscript S refers to the laboratory-fixed X,Y, Z components and the subscript α labels the molecular x, y, z components of the electric dipole moment respectively.

Keywords

Dipole Moment Electric Dipole Moment Power Series Expansion Equilibrium Geometry Permanent Dipole Moment 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References to Chapter VIII

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • Debra J. Searles
    • 1
  • Ellak I. von Nagy-Felsobuki
    • 2
  1. 1.Research School of ChemistryAustralian National UniversityCanberraAustralia
  2. 2.Department of ChemistryThe University of NewcastleCallaghanAustralia

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