Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
99 (1993), S. 2942-2963
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We have investigated the effect of potential energy saddles on the evolution of chaos in small (three- to seven-atom) inert gas clusters by comparing the local Kolmogorov entropy (K entropy) accumulated near a saddle with that accumulated in a potential well. We find that saddles which are relatively flat along the isomerization coordinate are most effective at reducing the local K entropy in the saddle region, indicating that these saddles tend to regularize the dynamics close to the saddle point. In three- and four-atom clusters, we also find that flat saddles decouple some or all of the cluster's vibrational modes from one another; this leads to approximately quasiperiodic behavior in some degrees of freedom near the saddle regions of these clusters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.465201
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