Nold, D. W. and Wardlaw, D. M. and Koszykowski, M. L. and Marcus, R. A. (1983) Methods tor Plotting Trajectories tor Triatomic Molecules and Visualizing the Caustics. Journal of Physical Chemistry, 87 (15). pp. 2733-2738. ISSN 0022-3654. doi:10.1021/j100238a011. https://resolver.caltech.edu/CaltechAUTHORS:20150624-090603005
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Abstract
A simple and efficient computational method is introduced for visualizing the structure of three-dimensional classical trajectories. Examples are presented for Hamiltonians with incommensurate frequencies, as well as with 1:1 and 2:1 resonances. Results are also presented for several states of OCS, one of which shows an accidental 4:1 resonance. Implications of this method for path integral quantization and perturbation methods are discussed.
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| Additional Information: | © 1983 American Chemical Society. Received: January 3, 1983. We are pleased to acknowledge the support of the present research by the U.S. Department of Energy under Contract W-7405-eng-26 with the Union Carbide Corporation (at Oak Ridge) and by a grant from the National Science Foundation (at the California Institute of Technology). D.W.N. is also indebted to Mr. M. A. Bell at Oak Ridge National Laboratory for helpful discussions on the use of the DISPLA plotting package. | |||||||||
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| Issue or Number: | 15 | |||||||||
| DOI: | 10.1021/j100238a011 | |||||||||
| Record Number: | CaltechAUTHORS:20150624-090603005 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20150624-090603005 | |||||||||
| Official Citation: | Methods for plotting trajectories for triatomic molecules and visualizing the caustics D. W. Noid, D. M. Wardlaw, M. L. Koszykowski, and R. A. Marcus The Journal of Physical Chemistry 1983 87 (15), 2733-2738 DOI: 10.1021/j100238a011 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 58575 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Tony Diaz | |||||||||
| Deposited On: | 24 Jun 2015 16:20 | |||||||||
| Last Modified: | 10 Nov 2021 22:07 |
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