Abstract.
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.
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Gabern, F., Koon, W., Marsden, J. et al. Application of Tube Dynamics to Non-Statistical Reaction Processes. Few-Body Systems 38, 167–172 (2006). https://doi.org/10.1007/s00601-005-0136-9
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DOI: https://doi.org/10.1007/s00601-005-0136-9