Local interpretation of chaotic dynamics in a many-body classical Hamiltonian system (Ar3)

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Abstract
The Kolmogorov entropy of a model Ar3 cluster converges smoothly to its limiting value when averages are taken over increasingly long segments of a molecular dynamics trajectory. The authors exploit this convergence and the analytical relation between the local Kolmogorov function and the potential energy surface to obtain a detailed understanding of the classical dynamics of Ar3. In particular, they are able to explain why the Kolmogorov entropy increases steadily with the total energy and then reaches a plateau. Several generalizations regarding more complex molecular systems are inferred.