Charge transfer dynamics in driven molecular ratchets: Quantum Monte Carlo results and rate models

Abstract

Charge transfer dynamics is studied in a ratchet-type molecular wire subject to finite frequency driving. Numerically exact data are obtained within the path integral Monte Carlo approach over the full transient time regime until a stationary net population imbalance has been established. This allows for a quantitative comparison with the master equation approaches and, in particular, underlines the usefulness of these rate models. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.