Journal
PHYSICAL REVIEW LETTERS
Volume 86, Issue 24, Pages 5478-5481Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.86.5478
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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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