On the Accuracy of the Noninteracting Electron Approximation for Vibrationally Coupled Electron Transport

Abstract

The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this model is described exactly by Landauer theory. Including coupling, both electronic-vibrational and vibrationally induced electron-electron correlation effects may contribute to the real time quantum dynamics. Using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory to describe nuclear dynamics exactly while maintaining the noninteracting electron approximation for the electronic dynamics, the correlation effects are analyzed in different physical regimes. It is shown that although the noninteracting electron approximation may be reasonable for describing short time dynamics, it does not give the correct long time limit for certain initial conditions.

arXiv admin note: text overlap with arXiv:1103.4945, arXiv:1301.4489

References in corpus (28)

• Dependence of Single Molecule Junction Conductance on Molecular Conformation
• Inelastic transport theory from first-principles: methodology and applications for nanoscale devices
• Real-time path integral approach to nonequilibrium many-body quantum system
• Inelastic electron tunneling via molecular vibrations in single-molecule transistors
• Diagrammatic Monte Carlo simulation of non-equilibrium systems
• Simultaneous measurements of electronic conduction and Raman response in molecular junctions
• Tunneling in suspended carbon nanotubes assisted by longitudinal phonons
• Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions
• On steady-state currents through nano-devices: a scattering-states numerical renormalization group approach to open quantum systems
• Iterative real-time path integral approach to nonequilibrium quantum transport
• Tunneling through molecules and quantum dots: master-equation approaches
• Kinetic Equations for Transport Through Single-Molecule Transistors
• Tuning the Kondo effect with a mechanically controllable break junction
• Resonant Electron Transport in Single-Molecule Junctions: Vibrational Excitation, Rectification, Negative Differential Resistance and Local Cooling
• Resonant electron heating and molecular phonon cooling in single C${}_{60}$ junctions
• Tunneling through nanosystems: Combining broadening with many-particle states
• Multiple steady-states in nonequilibrium quantum systems with electron-phonon interactions
• Transport in molecular states language: Generalized quantum master equation approach
• Many-body theory of electronic transport in single-molecule heterojunctions
• Vibrationally Induced Two-Level Systems in Single-Molecule Junctions
• Vibrational effects in laser driven molecular wires
• Pumping of vibrational excitations in a Coulomb blockaded suspended carbon nanotube
• Bistability signatures in nonequilibrium charge transport through molecular quantum dots
• Phonon runaway in nanotube quantum dots
• Numerically exact, time-dependent study of correlated electron transport in model molecular junctions
• Vibronic effects on resonant electron conduction through single molecule junctions
• Vibrational inelastic scattering effects in molecular electronics
• Quantum transport in a resonant tunnel junction coupled to a nanomechanical oscillator

Cited by in corpus (5)

• Green's function methods for single molecule junctions
• Extending the hierarchical quantum master equation approach to low temperatures and realistic band structures
• Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport
• Non-Adiabatic Effects of Nuclear Motion in Quantum Transport of Electrons: A Self-Consistent Keldysh-Langevin Study
• Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport: inclusion of electron-electron interactions