On the structure of classical trajectories in multidimensional bound molecular systems

C. J. Ashton, James Muckerman

Research output: Contribution to journalArticle

4 Citations (Scopus)

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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Trajectories
trajectories
three dimensional models
Computational methods
envelopes
Visualization
Molecules
Water
water
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

On the structure of classical trajectories in multidimensional bound molecular systems. / Ashton, C. J.; Muckerman, James.

In: Journal of Physical Chemistry, Vol. 87, No. 15, 1983, p. 2738-2744.

Research output: Contribution to journalArticle

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