The efficient computation of transition state resonances and reaction rates from a quantum normal form
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🌊 nlin.CD
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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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