Critical analysis of the band-shape function of a molecular system imbedded in a host crystal: Application to F centers

J. West, S. H. Lin, Kong-Thon Tsen

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Abstract

We present an investigation of the accuracy of the saddle-point method in application to band-shape functions and find that it gives excellent results for most commonly encountered situations. We also present a comparison with a new improved short-time approximation which shows promise in applications. We use this new method to examine the behavior of the band-shape function in a distorted oscillator model. As an application, we have used these methods to explain the absorption and emission spectra of an F-center defect (a prototype defect system) in four different host crystals KCl, KI, KBr, and NaCl.

Original languageEnglish (US)
Pages (from-to)7574-7585
Number of pages12
JournalThe Journal of chemical physics
Volume99
Issue number10
DOIs
StatePublished - Jan 1 1993

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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