Exact Calculation of the Time Convolutionless Master Equation Generator: Application to the Nonequilibrium Resonant Level Model

TL;DR

This paper presents an exact method to compute the time-convolutionless (TCL) master equation generator for quantum impurity models, enabling non-perturbative analysis of nonequilibrium dynamics with applications to the resonant level model.

Contribution

The authors derive a reduced-system approach to calculate the TCL generator directly from system observables, avoiding full Hilbert space inversion, and demonstrate its application to the nonequilibrium resonant level model.

Findings

TCL generator decay times are comparable to the memory kernel in the TC approach.

Temperature, bias, and gate potential significantly affect the TCL/TC generators.

The method facilitates non-perturbative analysis of quantum impurity dynamics.

Abstract

The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima--Zwanzig--Mori time-convolution (TC) and the other on the Tokuyama--Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called "memory kernel" or "generator", going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the \emph{full} Hilbert space, which is difficult to perform and thus, all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the \emph{reduced }Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green's function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.