Abstract

A study has been carried out of the reliability of Franck-Condon factors (FCFs) obtained in the simple harmonic oscillator (SHO) approximation of Nicholls. We have made a quantitative statistical comparison of FCFs for > 300 molecular transitions, obtained in the SHO approximation, with values calculated for the same transitions using the most accurate approximations with Rydberg-Klein-Rees or Morse potentials. The behavior of FCFs has been studied by using the SHO model in all groups of isovalent and isoelectronic diatomic molecules, and variations of the FCFs in these groups are shown to have a smooth character. The results allow reasonable estimation of FCFs for isovalent or isoelectronic molecules if accurate calculations are available for at least one of the molecular systems.

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