Article ID Journal Published Year Pages File Type
5375046 Chemical Physics 2010 11 Pages PDF
Abstract
A non Markovian master equation approach for the calculation of rate constants is presented, based on the propagation of the flux operator, including initial correlations. A comparison of the time dependent transmission coefficient with ML-MCTDH reference calculations shows good agreement for a large range of coupling parameters.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The importance of initial correlations in rate dynamics: A consistent non-Markovian master equation approach
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