Published July 1983
| public
Journal Article
Methods tor Plotting Trajectories tor Triatomic Molecules and Visualizing the Caustics
Chicago
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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.
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.Additional details
- Eprint ID
- 58575
- DOI
- 10.1021/j100238a011
- Resolver ID
- CaltechAUTHORS:20150624-090603005
- Department of Energy (DOE)
- W-7405-eng-26
- NSF
- National Science and Engineering Council of Canada (NSERC)
- Created
-
2015-06-24Created from EPrint's datestamp field
- Updated
-
2021-11-10Created from EPrint's last_modified field
- Other Numbering System Name
- Caltech Author Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 6769