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arxiv: 1201.6466 · v1 · pith:DSYYQX2Nnew · submitted 2012-01-31 · ❄️ cond-mat.mes-hall

Iterative summation of path integrals for nonequilibrium molecular quantum transport

classification ❄️ cond-mat.mes-hall
keywords nonequilibriumiterativelimitsmolecularpathsummationaccuratelyanalytical
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We formulate and apply a nonperturbative numerical approach to the nonequilibrium current, $I(V)$, through a voltage-biased molecular conductor. We focus on a single electronic level coupled to an unequilibrated vibration mode (Anderson-Holstein model), which can be mapped to an effective three-state problem. Performing an iterative summation of real-time path integral (ISPI) expressions, we accurately reproduce known analytical results in three different limits. We then study the crossover regime between those limits and show that the Franck-Condon blockade persists in the quantum-coherent low-temperature limit, with a nonequilibrium smearing of step features in the $IV$ curve.

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