Berlin 2018 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 72: Poster: Stoch. and Nonl. Dy., Modeling, Compl. Sys.

DY 72.5: Poster

Donnerstag, 15. März 2018, 15:30–18:00, Poster A

Dynamics and Phase Space Structure for Reactions with Multiple Saddles — •Johannes Reiff, Robin Bardakcioglu, Martin Tschöpe, Matthias Feldmaier, Jörg Main, and Günter Wunner — 1. Institut für Theoretische Physik, Universität Stuttgart, Germany

In chemical and physical reactions with time-dependent potentials, an important task is to distinguish products from reactants. In Transition State Theory (TST), this task has been successfully tackled semi-classically for a single potential barrier using Dividing Surfaces (DSs) attached to Normally Hyperbolic Invariant Manifolds (NHIMs). However, when considering multiple time-dependent saddles, it is still unknown whether a recrossing-free dividing surface exists.

We use Lagrangian descriptors and variations thereof to analyze the phase space structure of such multi-saddle systems. In doing so, fractal-like structures are revealed which make the search for recrossing-free DSs and therefore time-dependent reaction rates more challenging.