2008/05/28 by U. Harbola, S. Mukamel
Chemistry · Engineering · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Charge (physics) #Current (fluid) #Density matrix #Interpretation (philosophy) #Molecular Junctions and Nanostructures #Non-equilibrium thermodynamics #Observable #Space (punctuation) #Spectroscopy and Quantum Chemical Studies #cond-mat.mes-hall #cond-mat.stat-mech
paper · pdf · doi:10.1016/j.physrep.2008.05.003
36 pages, 3 figures. to be published in Physics Reports
arxiv created 2008/05/28 · openalex publication_date 2008/05/31 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Nonequilibrium Green's functions provide a powerful tool for computing the dynamical response and particle exchange statistics of coupled quantum systems. We formulate the theory in terms of the density matrix in Liouville space and introduce superoperator algebra that greatly simplifies the derivation and the physical interpretation of all quantities. Expressions for various observables are derived directly in real time in terms of superoperator nonequilibrium Green's functions (SNGF), rather than the artificial time-loop required in Schwinger's Hilbert-space formulation. Applications for computing interaction energies, charge densities, average currents, current induced fluorescence, electroluminescence and current fluctuation (electron counting) statistics are discussed.