Transport in molecular states language: Generalized quantum master equation approach

2008/11/25 by Massimiliano Esposito, Michael Galperin · 5 citations
Engineering · Physics and Astronomy · #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.79.205303

published as Phys. Rev. B 79, 205303 (2009) · 10 pages, 3 figures

arxiv created 2008/11/25 · openalex publication_date 2009/05/06 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

Abstract

A simple scheme, capable of treating transport in molecular junctions in the language of many-body states, is presented. By introducing an ansatz in Liouville space, similar to the generalized Kadanoff-Baym approximation, a quantum master equation (QME)-like expression is derived starting from the exact equation of motion for Hubbard operators. Using an effective Liouville space propagation, a dressing similar to the standard diagrammatic one is proposed. The scheme is compared to the standard QME approach and its applicability to transport calculations is discussed.

Citations

• Time-dependent transport in interacting and non-interacting mesoscopic systems
• Landauer formula for the current through an interacting electron region
• Theory of strongly correlated electron systems: Hubbard–Anderson models from an exact Hamiltonian, and perturbation theory near the atomic limit within a nonorthogonal basis set
• Franck-Condon Blockade and Giant Fano Factors in Transport through Single Molecules
• Pair Tunneling through Single Molecules

Cited by

• Efficiency fluctuations in quantum thermoelectric devices
• Single- or double-electron emission within the Keldysh nonequilibrium Green's function and Feshbach projection operator techniques
• Vibrational instabilities in resonant electron transport through single-molecule junctions
• Nuclear Dynamics at Molecule–Metal Interfaces: A Pseudoparticle Perspective
• Photonics and spectroscopy in nanojunctions: a theoretical insight

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• Quantum master equation for many-body systems: Derivation based on the Lieb-Robinson bound
• Density functional theory based many-body analysis of electron transport through molecules