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Dynamics and decay rates of a time-dependent two-saddle system
Johannes Reiff1, Matthias Feldmaier1, Jörg Main1
1Institut für Theoretische Physik I, Universität Stuttgart, 70550 Stuttgart, Germany.
Abstract:
The framework of transition state theory (TST) provides a powerful way for analyzing the dynamics of physical and chemical reactions. While TST has already been successfully used to obtain reaction rates for systems with a single time-dependent saddle point, multiple driven saddles have proven challenging because of their fractal-like phase space structure. This paper presents the construction of an approximately recrossing-free dividing surface based on the normally hyperbolic invariant manifold in a time-dependent two-saddle model system. Based on this, multiple methods for obtaining instantaneous (time-resolved) decay rates of the underlying activated complex are presented and their results discussed.
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