Preservation of Positivity by Dynamical Coarse-Graining

TL;DR

This paper introduces a dynamically adapted coarse-graining method to preserve positivity in quantum master equations, especially for phonon baths, improving accuracy over traditional approximations.

Contribution

It proposes a novel coarse-graining approach with a dynamic time scale that maintains positivity and accuracy in quantum master equations beyond the secular approximation.

Findings

The method preserves positivity in phonon bath models.

It recovers the secular approximation for large times.

Numerical examples demonstrate rapid thermalization and non-thermalization cases.

Abstract

We compare different quantum Master equations for the time evolution of the reduced density matrix. The widely applied secular approximation (rotating wave approximation) applied in combination with the Born-Markov approximation generates a Lindblad type master equation ensuring for completely positive and stable evolution and is typically well applicable for optical baths. For phonon baths however, the secular approximation is expected to be invalid. The usual Markovian master equation does not generally preserve positivity of the density matrix. As a solution we propose a coarse-graining approach with a dynamically adapted coarse graining time scale. For some simple examples we demonstrate that this preserves the accuracy of the integro-differential Born equation. For large times we analytically show that the secular approximation master equation is recovered. The method can in principle be extended to systems with a dynamically changing system Hamiltonian, which is of special interest for adiabatic quantum computation. We give some numerical examples for the spin-boson model of cases where a spin system thermalizes rapidly, and other examples where thermalization is not reached.