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Vibrational spectra of anharmonic oscillators of molecular crystals

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Abstract

This paper discusses the anharmonic vibrations of molecular crystals in the spectral region hν≈10-300cm<sup>−1</sup>. The wave functions and energy levels of two types of anharmonic oscillators under the conditions of strong anharmonism are calculated. It is shown that such a model correlates well with the observed asymmetry of the bands and their spectral displacement when there is a phase transition.

© 2010 Optical Society of America

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