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

Abstract

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.

arXiv comment4 pages, 3 figures, revtex4

References in corpus (3)

• Eigenstate structures around a hyperbolic point
• Pseudo-time Schroedinger equation with absorbing potential for quantum scattering calculations
• Semiclassical transmission across transition states

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