Dissipative quantum transport at arbitrary parameter regime: a variational method

Abstract

Recent development of theoretical method for dissipative quantum transport have achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport at arbitrary parameter regime is not figured out until now. In this work, a variational method for dissipative quantum transport at arbitrary electron-phonon coupling regime is developed by employing variational polaron theory. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. % which is variational in nature. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting an accurate and efficient method for the treatment of dissipative quantum transport with arbitrary electron-phonon coupling strength. Numerical benchmark calculation on an single site model with coupling to one phonon mode is also presented.

References in corpus (12)

• Inelastic scattering and local heating in atomic gold wires
• Modeling inelastic phonon scattering in atomic- and molecular-wire junctions
• Correlation-dependent coherent to incoherent transitions in resonant energy transfer dynamics
• Unified description of inelastic propensity rules for electron transport through nanoscale junctions
• Time-dependent density-functional theory for open systems
• Quantum dot Rabi rotations beyond the weak exciton-phonon coupling regime
• Coherent and incoherent dynamics in excitonic energy transfer: correlated fluctuations and off-resonance effects
• A generalized multi-polaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system
• Time-dependent versus static quantum transport simulations beyond linear response
• Vibrationally Induced Decoherence in Single-Molecule Junctions
• Charge-carrier-induced frequency renormalization, damping and heating of vibrational modes in nanoscale junctions
• Dissipative time-dependent quantum transport theory: quantum interference and phonon induced decoherence dynamics

Cited by in corpus (2)

• Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
• Effective-Hamiltonian theory: An approximation to the equilibrium state of open quantum systems