A general non-adiabatic quantum instanton approximation

We present a general quantum instanton approach to calculating reaction rates for systems with two electronic states and arbitrary values of the electronic coupling. This new approach, which we call the non-adiabatic quantum instanton (NAQI) approximation, reduces to Wolynes theory in the golden rul...

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Bibliographic Details
Main Authors: Lawrence, JE, Manolopoulos, DE
Format: Journal article
Language:English
Published: AIP Publishing 2020