Chaos in small clusters of inert gas atoms

We have calculated the Kolmogorov entropy for three- and seven-particle clusters bound by Lennard-Jones potentials and for three-particle clusters bound by Morse potentials of various ranges. We have used two quite different methods, one of which is new, which give consistent results. We find that a...

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Bibliographic Details
Published in:The Journal of chemical physics 1992-01, Vol.96 (2), p.1376-1390
Main Authors: HINDE, R. J, BERRY, R. S, WALES, D. J
Format: Article
Language:English
Subjects:
Atomic and molecular clusters
Atomic and molecular physics
Exact sciences and technology
Physics
Studies of special atoms, molecules and their ions
clusters
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Summary:We have calculated the Kolmogorov entropy for three- and seven-particle clusters bound by Lennard-Jones potentials and for three-particle clusters bound by Morse potentials of various ranges. We have used two quite different methods, one of which is new, which give consistent results. We find that all of these systems are classically chaotic over a wide range of energies surrounding the estimated quantum-mechanical zero point energies. Furthermore, for the three-particle clusters, we can rationalize the variation in the degree of chaos with total energy in terms of the local structure of the clusters’ potential energy surface.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.462173