On the structure of classical trajectories in multidimensional bound molecular systems

C. J. Ashton, James Muckerman

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Abstract

A computational method is described which enables visualization of the coordinate space envelopes of classical trajectories in multidimensional bound molecular systems. The method is exemplified by application to a realistic three-dimensional model of the vibrating water molecule, and its utility in the application of semiclassical quantization techniques is emphasized.

Original languageEnglish
Pages (from-to)2738-2744
Number of pages7
JournalJournal of Physical Chemistry
Volume87
Issue number15
Publication statusPublished - 1983

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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