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Recurrence plot analysis of nonlinear vibrational dynamics in H3 molecule |
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| Authors: | Peter Babinec Jerzy Leszczynski |
| Institution: | a Department of Biophysics and Chemical Physics, Comenius University, MFF UK, Mlynská dolina F1, 842 48, Bratislava, Slovakia b Department of Chemistry, The Computational Center for Molecular Structures and Interactions, Jackson State University, Jackson, MS 39 217, USA |
| Abstract: | An ab initio classical trajectories obtained from the simulation of vibrational mode dynamics of H3+ molecule were analyzed by Fourier transform and recurrence plot analysis. As has been found, at a particular value of energy supplied to vibrational modes (slightly above the zero point energy) the character of vibrational motion changes from regular to chaotic. |
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