A technique based on dynamical systems theory is introduced for the computation of lifetime distributions and rates of chemical reactions and scattering phenomena, even in systems that exhibit non-statistical behavior. In particular, we merge invariant manifold tube dynamics with Monte Carlo volume determination for accurate rate calculations. This methodology is applied to a three-degree-of-freedom model problem and some ideas on how it might be extended to higher-degree-of-freedom systems are presented.
|出版ステータス||Published - 2006 6月|
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