Semiclassical study of collision-induced predissociation: Comparison of the Landau-Zener model with the method of analytic continuation

Gianni L. Bendazzoli, Mario Raimondi, Bruce Garetz, Thomas F. George, Keiji Morokuma

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Abstract

Semiclassical calculations are carried out by two methods for the problem of collision-induced predissociation of electronically excited I2. The first method is that of surface-hopping with the Landau-Zener model. The second method is similar to surface-hopping, except that analytic continuation of the adiabatic potential energy surfaces replaces the Landau-Zener model. Results of the calculations by the two methods compare favorably with each other and with experiment. The possible advantages of the second method are discussed.

Original languageEnglish (US)
Pages (from-to)341-350
Number of pages10
JournalTheoretica Chimica Acta
Volume44
Issue number4
DOIs
Publication statusPublished - Dec 1977

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Keywords

  • Analytic continuation
  • Collision-induced predissociation
  • Landau-Zener model

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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