Nonequilibrium configuration interaction method for transport in correlated quantum systems

Abstract

We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use superoperator techniques in Liouville-Fock space and represent the nonequilibrium density matrix as a linear combination of all possible nonequilibrium quasiparticle excitations built on the appropriate reference state. As an example we consider the electron transport through the system with electron-phonon interaction. The concept of embedding (buffer zones between the reservoirs and the correlated quantum system) is used to derive an exact master equation for the reduced density matrix. Using approximate (truncated) expansion of the trial density matrix we obtain the linear system of equations for two-quasiparticle amplitudes. Then we compute the steady-state current and compare the result with other approaches. The current conserving property of the method is proved.

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Cited by in corpus (12)

• Lindblad-Driven Discretized Leads for Non-Equilibrium Steady-State Transport in Quantum Impurity Models: Recovering the Continuum Limit
• Configuration interaction based nonequilibrium steady state impurity solver
• Current-induced atomic motion, structural instabilities, and negative temperatures on molecule-electrode interfaces in electronic junctions
• Superoperator coupled cluster method for nonequilibrium density matrix
• Distribution of tunnelling times for quantum electron transport
• Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature
• Distribution of residence times as a marker to distinguish different pathways for quantum transport
• 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
• Nonadiabatic corrections to electric current in molecular junction due to nuclear motion at the molecule-electrode interfaces
• A multiconfigurational pair-density functional theory approach to molecular junctions