72 citations · 150 across the 8 of their papers we have counts for
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physics.chem-ph2019★ 17 cited
Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations
Wei Fang, Manish J. Thapa, Jeremy O. Richardson
We describe a path-integral molecular dynamics implementation of our recently developed golden-rule quantum transition-state theory (GR-QTST). The method is applied to compute the…
physics.chem-ph2019★ 23 cited
Semiclassical analysis of the quantum instanton approximation
Christophe L. Vaillant, Manish J. Thapa, Jiří Vaníček +1
We explore the relation between the quantum and semiclassical instanton approximations for the reaction rate constant. From the quantum instanton expression, we analyze the contrib…