Transition states, trapped trajectories, and classical bound states embedded in the continuum
作者： Eli Pollak , Philip Pechukas
DOI: 10.1063/1.436658
关键词: Bound state 、 Atom 、 Quantum mechanics 、 Atomic physics 、 Transition state 、 State (functional analysis) 、 Normally hyperbolic invariant manifold 、 Continuum (design consultancy) 、 Diatomic molecule 、 Chemistry 、 Triatomic molecule
摘要: We show that the best choice of transition state, for atom exchange reaction in a classical collinear collision an with diatomic, is bound state embedded continuum: periodic vibration triatomic system across interaction region potential surface. These unstable states also serve as limit sets trapped trajectories form boundary reactivity bands molecular collisions, and we comment on implications this result calculation product distributions. Numerical calculations are presented H+H2 F+H2 reactions.
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