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 language | English |
|---|---|
| Pages (from-to) | 2738-2744 |
| Number of pages | 7 |
| Journal | Journal of Physical Chemistry |
| Volume | 87 |
| Issue number | 15 |
| Publication status | Published - 1983 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
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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 journal › Article
}
TY - JOUR
T1 - On the structure of classical trajectories in multidimensional bound molecular systems
AU - Ashton, C. J.
AU - Muckerman, James
PY - 1983
Y1 - 1983
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=12144281270&partnerID=8YFLogxK
M3 - Article
VL - 87
SP - 2738
EP - 2744
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
SN - 0022-3654
IS - 15
ER -