Theoretical Methods for the Analysis of Spectra of Highly Vibrationally Excited Polyatomic Molecules

Abstract

The vibrational spectra of classically chaotic systems are usually very complicated and seemingly unassignable. In this paper, two methods for the analysis of spectra of highly vibrationally excited polyatomic molecules are described, and some results for the floppy molecules HCN and LiNC are presented. By application of these methods, relevant information on the underlying dynamics is obtained, thus establishing a bridge between the spectroscopy and the dynamics of these systems.