Impenetrable barriers in phase-space. |
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Authors: | S Wiggins L Wiesenfeld C Jaffé T Uzer |
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Affiliation: | School of Mathematics, University of Bristol, Bristol BS8 1TW, United Kingdom. |
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Abstract: | Dynamical systems theory is used to construct a general phase-space version of transition state theory. Special multidimensional separatrices are found which act as impenetrable barriers in phase-space between reacting and nonreacting trajectories. The elusive momentum-dependent transition state between reactants and products is thereby characterized. A practical algorithm is presented and applied to a strongly coupled Hamiltonian. |
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