A self-consistent quantum master equation approach to molecular transport
arXiv:1004.2533 · doi:10.1021/jp103369s
Abstract
We propose a self-consistent generalized quantum master equation (GQME) to describe electron transport through molecular junctions. In a previous study [M.Esposito and M.Galperin. Phys. Rev. B 79, 205303 (2009)], we derived a time-nonlocal GQME to cure the lack of broadening effects in Redfield theory. To do so, the free evolution used in the Born-Markov approximation to close the Redfield equation was replaced by a standard Redfield evolution. In the present paper, we propose a backward Redfield evolution leading to a time-local GQME which allows for a self-consistent procedure of the GQME generator. This approach is approximate but properly reproduces the nonequilibrium steady state density matrix and the currents of an exactly solvable model. The approach is less accurate for higher moments such as the noise.
9 pages, 4 figures
References in corpus (24)
- Time-dependent transport in interacting and non-interacting mesoscopic systems
- Nonequilibrium fluctuations, fluctuation theorems, and counting statistics in quantum systems
- Electron Counting Statistics and Coherent States of Electric Current
- Exact dynamics of dissipative electronic systems and quantum transport: Hierarchical equations of motion approach
- Quantum master equation for electron transport through quantum dots and single molecules
- Tunneling through molecules and quantum dots: master-equation approaches
- Kinetic Equations for Transport Through Single-Molecule Transistors
- Quantum master equation approach to quantum transport through mesoscopic systems
- Cotunneling at resonance for the single-electron transistor
- Tunneling through nanosystems: Combining broadening with many-particle states
- Transport in molecular states language: Generalized quantum master equation approach
- Inelastic tunneling effects on noise properties of molecular junctions
- Fluctuation theorem for counting-statistics in electron transport through quantum junctions
- Nonequilibrium isolated molecule limit
- Quantum Transport through Nanostructures with Orbital Degeneracies
- GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in the I-V characteristics
- Interference effects in the counting statistics of electron transfers through a double quantum dot
- On apparent breaking the second law of thermodynamics in quantum transport studies
- Non-equilibrium theory for strongly coupled quantum dot with arbitrary on-site correlation strength
- Quantum Transport from the Perspective of Quantum Open Systems
- Inelastic scattering and heating in a molecular spin pump
- A Liouville equation for systems which exchange particles with reservoirs: transport through a nano-device
- Quantum master equation for the microcanonical ensemble
- 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
Cited by in corpus (40)
- Resonant Electron Transport in Single-Molecule Junctions: Vibrational Excitation, Rectification, Negative Differential Resistance and Local Cooling
- Decoherence and lead induced inter-dot coupling in nonequilibrium electron transport through interacting quantum dots: A hierarchical quantum master equation approach
- Beyond Marcus theory and the Landauer-Büttiker approach in molecular junctions: A unified framework
- A phenomenological position and energy resolving Lindblad approach to quantum kinetics
- Vibrational Instabilities in Resonant Electron Transport through Single-Molecule Junctions
- Efficiency fluctuations in quantum thermoelectric devices
- 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
- Vibrationally Induced Decoherence in Single-Molecule Junctions
- Improved Dyson series expansion for steady-state quantum transport beyond the weak coupling limit - divergences and resolution
- Hierarchical quantum master equation approach to current fluctuations in nonequilibrium charge transport through nanosystems
- Nuclear dynamics at molecule-metal interfaces: A pseudoparticle perspective
- Beyond Marcus theory and the Landauer-Buttiker approach in molecular junctions. II. A self-consistent Born approach
- Lead Geometry and Transport Statistics in Molecular Junctions
- Time-dependent transport in open systems based on quantum master equations
- Motor effect in electron transport through a molecular junction with torsional vibrations
- Effect of broadening in the weak coupling limit of vibrationally coupled electron transport through molecular junctions and the analogy to quantum dot circuit QED systems
- Towards Noise Simulation in Interacting Nonequilibrium Systems Strongly Coupled to Baths
- Molecular Heat Engines: Quantum Coherence Effects
- Simulation of optical response functions in molecular junctions
- A Quasi-Classical Mapping Approach to Vibrationally Coupled Electron Transport in Molecular Junctions
- A Cartesian Quasi-classical Model to Nonequilibrium Quantum Transport: The Anderson Impurity Model
- Quantum transport under AC drive from the leads : A Quantum Master Equation approach
- Thermodynamics of energy, charge and spin currents in thermoelectric quantum-dot spin valve
- Self-consistent dynamical maps for open quantum systems
- Lindblad equation and its semi-classical limit of the Anderson-Holstein model
- Liouvillian exceptional points of an open driven two-level system
- A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators
- Absence of Coulomb Blockade in the Anderson Impurity Model at the Symmetric Point
- Vibronic Dephasing Model for Coherent-to-Incoherent Crossover in DNA
- Markovian kinetic equation approach to electron transport through quantum dot coupled to superconducting leads
- A complete quasiclassical map for the dynamics of interacting fermions
- The mixing of polarizations in the acoustic excitations of disordered media with local isotropy
- Stochastically bundled dissipators for the quantum master equation
- Beyond-adiabatic Quantum Admittance of a Semiconductor Quantum Dot at High Frequencies: Rethinking Reflectometry as Polaron Dynamics
- Real-time Sign-Problem-Suppressed Quantum Monte Carlo Algorithm For Noisy Quantum Circuit Simulations
- Influence of superconducting leads energy gap on electron transport through double quantum dot by Markovian quantum master equation approach
- Self-consistent approach to the dynamics of excitation energy transfer in multichromophoric systems
- Lindblad theory for incoherently-driven electron transport in molecular nanojunctions