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R. Hernandez, T. Uzer, T. Bartsch (2010)
Transition state theory in liquids beyond planar dividing surfacesChemical Physics, 370
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Andrej Junginger, R. Hernandez (2016)
Uncovering the Geometry of Barrierless Reactions Using Lagrangian Descriptors.The journal of physical chemistry. B, 120 8
In chemical reactions, trajectories typicallyturn from reactants to products when crossing a dividing surfaceclose to the normally hyperbolic invariant manifold (NHIM) given bythe intersection of the stable and unstable manifolds of a rank-1saddle. Trajectories started exactly on the NHIM in principle neverleave this manifold when propagated forward or backward in time.This still holds for driven systems when the NHIM itself becomestime-dependent. We investigate the dynamics on the NHIM for aperiodically driven model system with two degrees of freedom bynumerically stabilizing the motion. Using Poincaré surfaces ofsection, we demonstrate the occurrence of structural changes of thedynamics, viz., bifurcations of periodic transition state (TS)trajectories when changing the amplitude and frequency of theexternal driving. In particular, periodic TS trajectories with thesame period as the external driving but significantly differentparameters — such as mean energy — compared to theordinary TS trajectory can be created in a saddle-node bifurcation.
Regular and Chaotic Dynamics – Springer Journals
Published: Sep 28, 2020
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