23 citations · 40 across the 2 of their papers we have counts for
3 papers
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…
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…
Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems
Manish J. Thapa, Wei Fang, Jeremy O. Richardson
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quant…