Display Abstract

Title The Quantum Normal Form approach to Transition State Theory

Name Roman Schubert
Country England
Email roman.schubert@bristol.ac.uk
Co-Author(s) A. Goussev, H. Waalkens and S. Wiggins
Submit Time 2014-03-27 14:26:59
Session
Special Session 113: Normal forms and molecules in motion through phase space bottlenecks
Contents
Transition state theory describes certain classes of chemical reactions of molecules. In the realm of classical mechanics normal forms have been used for the qualitative and quantitative understanding of reaction dynamics as a passage through phase space bottlenecks. Recently we introduced a quantum version of this approach in which Quantum Normal Forms are used to approximate the quantum dynamics of the reaction, and to compute a local S-matrix which incorporates reaction rates. In this talk we will give an overview of this approach and discuss its application to some model systems.