2013/01/11 by Lars Kecke, Joachim Ankerhold, Kecke, Lars +1
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.1301.2422
openalex publication_date 2013/01/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Charge transfer through nanoscale junctions connecting metallic leads with quantum dots or single molecules is often described within an open system formulation in terms of Redfield theory. Under non-equilibrium conditions, the usually invoked rotating wave approximation is not justified which may lead to unphysical steady state solutions with e.g. negative populations. In this work we explore subtleties and constraints of the approach and thus clarify its applicability in numerical calculations. General findings are illustrated for an analytically solvable case of a molecule with two electronic states.