An improved path-integral method for golden-rule rates
We present a simple method for the calculation of reaction rates in the Fermi golden-rule limit, which accurately captures the effects of tunneling and zero-point energy. The method is based on a modification of the recently proposed golden-rule quantum transition state theory (GR-QTST) of Thapa, Fa...
Auteurs principaux: | Lawrence, JE, Manolopoulos, DE |
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Format: | Journal article |
Langue: | English |
Publié: |
American Institute of Physics
2020
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