The efficient computation of transition state resonances and reaction rates from a quantum normal form

Details The efficient computation of transition state resonances and reaction rates from a quantum normal form The efficient computation of transition state resonances and reaction rates from a quantum normal form

2005-10-14

arxiv.org/abs/nlin/0510033v1

Nonlinear Sciences

Chaotic Dynamics

4 pages, 3 figures, revtex4

Scientific paper

10.1103/PhysRevLett.96.218302

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 and the associated Gamov-Siegert resonances with
very high accuracy. The algorithm is especially efficient for
multi-degree-of-freedom systems where other approaches are no longer feasible.

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