Transport in molecular states language: Generalized quantum master equation approach

Abstract

A simple scheme capable of treating transport in molecular junctions in the language of many-body states is presented. An ansatz in Liouville space similar to generalized Kadanoff-Baym approximation is introduced in order to reduce exact equation-of-motion for Hubbard operator to quantum master equation (QME)-like expression. A dressing with effective Liouville space propagation similar to standard diagrammatic dressing approach is proposed. The scheme is compared to standard QME approach, and its applicability to transport calculations is discussed within numerical examples.

10 pages, 3 figures

References in corpus (27)

• Time-dependent transport in interacting and non-interacting mesoscopic systems
• Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
• Franck-Condon blockade and giant Fano factors in transport through single molecules
• Phonon effects in molecular transistors: Quantum and classical treatment
• Simultaneous measurements of electronic conduction and Raman response in molecular junctions
• Theory of the Franck-Condon blockade regime
• Quantum master equation for electron transport through quantum dots and single molecules
• Heat conduction in molecular transport junctions
• Resonant inelastic tunneling in molecular junctions
• Tunneling through molecules and quantum dots: master-equation approaches
• Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends Across Binding Regimes
• The effect of inelastic processes on tunneling
• Quantum master equation approach to quantum transport through mesoscopic systems
• Tunneling through nanosystems: Combining broadening with many-particle states
• The influence of ultra-fast laser pulses on electron transfer in molecular wires studied by a non-Markovian density matrix approach
• Probing electronic excitations in molecular conduction
• Pair tunneling through single molecules
• Inelastic effects in molecular junctions in the Coulomb and Kondo regimes: Nonequilibrium equation-of-motion approach
• Impact of Exchange-Correlation Effects on the IV Characteristics of a Molecular Junction
• Phonon runaway in nanotube quantum dots
• Nonequilibrium isolated molecule limit
• Linear optical response of current-carrying molecular junction: A NEGF-TDDFT approach
• Nonequilibrium charge-Kondo transport through negative-U molecules
• Non-equilibrium theory for strongly coupled quantum dot with arbitrary on-site correlation strength
• A Liouville equation for systems which exchange particles with reservoirs: transport through a nano-device
• Theory of strongly correlated f and d-electron systems. I. Exact Hamiltonian, Hubbard-Anderson models and perturbation theory near atomic limit within non-orthogonal basis set
• Interplay between interference and Coulomb interaction in the ferromagnetic Anderson model with applied magnetic field

Cited by in corpus (50)

• Nonequilibrium Physics in Biology
• Resonant Electron Transport in Single-Molecule Junctions: Vibrational Excitation, Rectification, Negative Differential Resistance and Local Cooling
• Beyond Marcus theory and the Landauer-Büttiker approach in molecular junctions: A unified framework
• Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions
• Vibrational Instabilities in Resonant Electron Transport through Single-Molecule Junctions
• Efficiency fluctuations in quantum thermoelectric devices
• Numerically exact, time-dependent study of correlated electron transport in model molecular junctions
• Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems: Reservoir formulation and application to vibrational instabilities
• A self-consistent quantum master equation approach to molecular transport
• Transport and optical response of molecular junctions driven by surface plasmon-polaritons
• Bias-Controlled Selective Excitation of Vibrational Modes in Molecular Junctions: A Route Towards Mode-Selective Chemistry
• The Anderson--Holstein Model in Two Flavors of the Non--Crossing Approximation
• Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
• Efficient low temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model
• Extending the hierarchical quantum master equation approach to low temperatures and realistic band structures
• Coulomb interaction and transient charging of excited states in open nanosystems
• Meir-Wingreen formula for heat transport in a spin-boson nanojunction model
• Curl flux, coherence, and population landscape of molecular systems: Nonequilibrium quantum steady state, energy (charge) transport, and thermodynamics
• Nuclear dynamics at molecule-metal interfaces: A pseudoparticle perspective
• Noise Spectra of ac-driven quantum dots
• Beyond Marcus theory and the Landauer-Buttiker approach in molecular junctions. II. A self-consistent Born approach
• A multilayer multiconfiguration time-dependent Hartree study of the nonequilibrium Anderson impurity model at zero temperature
• Many-body non-equilibrium effects in all-electric electron spin resonance
• Single and double electron emission: combination of projection operator and nonequilibrium Green's function approaches
• Generalized input-output method: A new route to quantum transport junctions
• Simulation of optical response functions in molecular junctions
• On the theory of charge transport and entropic effects in solvated molecular junctions
• A study of all-electric electron spin resonance using Floquet quantum master equations
• A Cartesian Quasi-classical Model to Nonequilibrium Quantum Transport: The Anderson Impurity Model
• Quantum Transport With Two Interacting Conduction Channels
• System-bath entanglement theorem with Gaussian environments
• Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport: inclusion of electron-electron interactions
• Self-consistent dynamical maps for open quantum systems
• Negative differential conductance in molecular junctions: an overview of experiment and theory
• Lindblad equation and its semi-classical limit of the Anderson-Holstein model
• On the Accuracy of the Noninteracting Electron Approximation for Vibrationally Coupled Electron Transport
• Generalized Master Equation Approach to Time-Dependent Many-Body Transport
• Contrasting exchange-field and spin-transfer torque driving mechanisms in all-electric electron spin resonance
• Liouvillian exceptional points of an open driven two-level system
• Absence of Coulomb Blockade in the Anderson Impurity Model at the Symmetric Point
• A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators
• A complete quasiclassical map for the dynamics of interacting fermions
• On optical spectroscopy of molecular junctions
• Unraveling open-system quantum dynamics of non-interacting Fermions
• Many-Body Coherence in Quantum Transport
• Resonant Regimes in the Fock-Space Coherence of Multilevel Quantum Dots
• Role of Nearly-Degenerate Vibrational Modes in Electron Transport through a Molecular Junction
• Lindblad theory for incoherently-driven electron transport in molecular nanojunctions
• Exact description of fermionic reservoirs via purified damped ancillary fermions
• Single charge-current in a normal mesoscopic region attached to superconductor leads via a coupled Poisson Non-equilibrium Green Function formalism