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20082014
most citedKinetically Constrained Ring-Polymer Molecular Dynamics for Non-adiabatic Chemical Reactions

109 citations · 109 across the 1 of their papers we have counts for

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cond-mat.stat-mech2011

Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods

Artur R. Menzeleev, Nandini Ananth, Thomas F. Miller

The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical i…