Journal of chemical theory and computation
A Unified Langevin Framework for Bosonic and Fermionic Dissipation in Nonadiabatic Electrochemical Proton Transfer.
Elvis F Arguelles, Osamu Sugino
Published: 202510.1021/acs.jctc.5c01487
Abstract
We present an influence functional path integral framework for treating the coupled dynamics of solvated proton and electron transfer within a nonequilibrium open system. This method formulates a generalized Langevin equation describing dynamics in s…
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