- 5. November 2019 13:15 Uhr
- Thomas Bartsch (Loughborough University)
Transition State Theory describes how a reactive system crosses an energy barrier that is marked by a saddle point of the potential energy. The transition from the reactant to the product side of the barrier is regulated by a system of invariant manifolds that separate trajectories with qualitatively different behaviour.
The situation becomes more complex if there are more than two reaction channels, or possible outcomes of the reaction, as in molecular systems with three-fold or higher rotational symmetry. Indeed, the monkey saddle potential, with three channels, is known to exhibit chaotic dynamics at any energy. We investigate the boundaries between initial conditions with different outcomes in an attempt to obtain a qualitative and quantitative description of the relevant invariant structures.