4.8 Article

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

Journal

PHYSICAL REVIEW LETTERS
Volume 96, Issue 21, Pages -

Publisher

AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.96.218302

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A quantum version of a recent formulation of transition state theory in 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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