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nlin.CD2005
The efficient computation of transition state resonances and reaction rates from a quantum normal form
Roman Schubert, Holger Waalkens, Stephen Wiggins
A quantum version of a recent formulation of transition state theory in {\em phase space} is presented. The theory developed provides an algorithm to compute quantum reaction rates…
nlin.CD2004
Direct Construction of a Dividing Surface of Minimal Flux for Multi-Degree-of-Freedom Systems: The Equivalence of Conventional and Variational Transition State Theory
H. Waalkens, S. Wiggins
The fundamental assumption of conventional transition state theory is the existence of a dividing surface having the property that trajectories originating in reactants must cross…
nlin.CD2004
A Computational Procedure to Detect a New Type of High Dimensional Chaotic Saddle and its Application to the 3-D Hill's Problem
H. Waalkens, A. Burbanks, S. Wiggins
A computational procedure that allows the detection of a new type of high-dimensional chaotic saddle in Hamiltonian systems with three degrees of freedom is presented. The chaotic…