Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters.

Abstract

This paper uncovers novel and specific dynamical mechanisms that initiate large-amplitude collective motions in polyatomic molecules. These mechanisms are understood in terms of intramolecular energy transfer between modes and driving forces. Structural transition dynamics of a six-atom cluster between a symmetric and an elongated isomer is highlighted as… (More)
DOI: 10.1063/1.3098141

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