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arxiv: nlin/0510033 · v1 · submitted 2005-10-14 · 🌊 nlin.CD

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

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keywords quantumalgorithmefficientratesreactionresonancesstatetheory
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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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