382 citations · 1.9k across the 49 of their papers we have counts for
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Nonadiabatic ImF instanton rate theory
Rhiannon A. Zarotiadis, Jeremy O. Richardson
Semiclassical instanton theory captures nuclear quantum effects such as tunnelling in chemical reactions. It was originally derived from two different starting points, the flux cor…
Detailed balance in mixed quantum-classical mapping approaches
Graziano Amati, Jonathan R. Mannouch, Jeremy O. Richardson
The violation of detailed balance poses a serious problem for the majority of current quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the severity…
Quasiclassical approaches to the generalized quantum master equation
Graziano Amati, Maximilian A. C. Saller, Aaron Kelly +1
The formalism of the generalized quantum master equation (GQME) is an effective tool to simultaneously increase the accuracy and the efficiency of quasiclassical trajectory methods…