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A General Algebraic Model for Molecular Vibrational Spectroscopy

✍ Scribed by A. Frank; R. Lemus; R. Bijker; F. Pérez-Bernal; J.M. Arias

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
897 KB
Volume
252
Category
Article
ISSN
0003-4916

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✦ Synopsis

We introduce the anharmonic oscillator symmetry model to describe vibrational excitations in molecular systems exhibiting a high degree of symmetry. A systematic procedure is proposed to establish the relation between the algebraic and configuration space formulations, leading to new interactions in the algebraic model. This approach incorporates the full power of group theoretical techniques and provides reliable spectroscopic predictions. We illustrate the method for the case of D 3h -triatomic molecules.

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Spurious states arise naturally in the description of molecular vibrational excitations. In the harmonic approximation such states can be projected out from the physical space exactly. This is in general not the case when anharmonic interactions are considered. We show that within the framework of t