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arXiv:2309.16320 · Physical Review X

Recovering Complete Positivity of Non-Markovian Quantum Dynamics with Choi-Proximity Regularization

Antonio D’Abbruzzo, Donato Farina, Vittorio Giovannetti

Published Jul 17, 2024• 8 citations
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Abstract

A relevant problem in the theory of open quantum systems is the lack of complete positivity of dynamical maps obtained after weak-coupling approximations, a famous example being the Redfield master equation. A number of approaches exist to recover well-defined evolutions under additional Markovian assumptions, but much less is known beyond this regime. Here, we propose a numerical method to cure the complete-positivity violation issue while preserving the non-Markovian features of an arbitrary original dynamical map. The idea is to replace its unphysical Choi operator with its closest physical one, mimicking recent work on quantum process tomography. We also show that the regularized dynamics is more accurate in terms of reproducing the exact dynamics, which allows us to heuristically push the utilization of these master equations in moderate coupling regimes, where the loss of positivity can have a relevant impact. Published by the American Physical Society 2024

DOI
10.1103/physrevx.14.031010

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A relevant problem in the theory of open quantum systems is the lack of complete positivity of dynamical maps obtained after weak-coupling approximations, a famous example being the Redfield master equation. A number of approaches exist to recover well-defined evolutions under additional Markovian assumptions, but much less is known beyond this regime. Here, we propose a numerical method to cure the complete-positivity violation issue while preserving the non-Markovian features of an arbitrary original dynamical map. The idea is to replace its unphysical Choi operator with its closest physical one, mimicking recent work on quantum process tomography. We also show that the regularized dynamics is more accurate in terms of reproducing the exact dynamics, which allows us to heuristically push the utilization of these master equations in moderate coupling regimes, where the loss of positivity can have a relevant impact. Published by the American Physical Society 2024
The reduced dynamics of an open quantum system obtained from an underlying microscopic Hamiltonian can in general only approximately be described by a time-local master equation. The quality of that approximation depends primarily on the coupling strength and the structure of the environment. Various such master equations have been proposed with different aims. Choosing the most suitable one for a specific system is not straightforward. By focusing on the accuracy of the reduced dynamics we provide a thorough assessment for a selection of methods (Redfield equation, quantum optical master equation, coarse-grained master equation, a related dynamical map approach, and a partial-secular approximation). We consider secondary, here, whether or not an approach guarantees positivity. We use two qubits coupled to a Lorentzian environment in a spin-boson-like fashion modeling a generic situation with various system and bath time scales. We see that, independent of the initial state, the simple Redfield equation with time-dependent coefficients is significantly more accurate than all other methods under consideration. We emphasize that positivity violation in the Redfield equation formalism becomes relevant only in a regime where any of the perturbative master equations considered here are rendered invalid anyway. This implies that the loss of positivity should in fact be welcomed as an important feature: it indicates the breakdown of the weak-coupling assumption. In addition we present the various approaches in a self-contained way and use the behavior of their errors to provide further insight into the range of validity of each method.
The Redfield equation with time-dependent coefficients (or TCL2 equation) gives one of the simplest perturbative descriptions of open quantum system dynamics derived from a microscopic theory. Its status as an approximation is nevertheless subtle: while perturbation theory fixes the reduced dynamics order-by-order in the system-environment coupling, solving the Redfield equation yields a particular resummation that need not preserve complete positivity. Here we compare Redfield evolution with an exponentiated (Magnus) resummation of the same second-order perturbative map, which is completely positive and trace preserving (CPTP) for a broad class of physical conditions. We also construct a simple CPTP resolvent resummation, illustrating the non-uniqueness of resummations of the same perturbative map. The Redfield and Magnus prescriptions agree to second order but differ through time-ordering corrections at higher orders. We exhibit a weak-coupling criterion which guarantees that Redfield evolution, even when non-Markovian, remains close to a CPTP map. We illustrate the criterion in two examples, focusing on finite-dimensional (qubit) systems. Our results clarify when, and why, Redfield evolution can remain reliable even when it is highly non-Lindbladian.
We introduce a new regularization of the Redfield equation based on a replacement of the Kossakowski matrix with its closest positive semidefinite neighbor. Unlike most of the existing approaches, this procedure is capable of retaining the time dependence of the Kossakowski matrix, leading to a completely positive divisible quantum process. Using the dynamics of an exactly-solvable three-level open system as a reference, we show that our approach performs better during the transient evolution, if compared to other approaches like the partial secular master equation or the universal Lindblad equation. To make the comparison between different regularization schemes independent from the initial state, we introduce a new quantitative approach based on the Choi-Jamiołkowski isomorphism.
Positivity preservation is naturally guaranteed in exact non-Markovian master equations for open quantum system dynamics. However, in many approximated non-Markovian master equations, the positivity of the reduced density matrix is not guaranteed. In this paper we provide a general class of time-local, perturbative, and positivity-preserving non-Markovian master equations generated from stochastic Schr\"odinger equations, particularly quantum-state-diffusion equations. Our method has an expanded range of applicability for accommodating a variety of non-Markovian environments. We show the positivity-preserving master equation for a three-level system coupled to a dissipative bosonic environment as a particular example to exemplify our general approach. We illustrate the numerical simulations with an analysis explaining why the previous approximated non-Markovian master equations cannot guarantee positivity. Our work provides a consistent master equation for studying the non-Markovian dynamics in ultrafast quantum processes and strong-coupling systems.
The pseudomode framework provides an exact description of the dynamics of an open quantum system coupled to a non-Markovian environment. Using this framework, the influence of the environment on the system is studied in an equivalent model, where the open system is coupled to a finite number of unphysical pseudomodes that follow a time-local master equation. Building on the insight that this master equation does not need to conserve the hermiticity of the pseudomode state, we here ask for the most general conditions on the master equation that guarantee the correct reproduction of the system's original dynamics. We demonstrate that our generalized approach decreases the number of pseudomodes that are required to model, for example, underdamped environments at finite temperature. We also provide an unraveling of the master equation into quantum jump trajectories of non-Hermitian states, which further facilitates the utilization of the pseudomode technique for numerical calculations by enabling the use of easily parallelizable Monte Carlo simulations. Finally, we show that pseudomodes, despite their unphysical nature, provide a natural picture in which physical processes, such as the creation of system-bath correlations or the exchange of heat, can be studied. Hence, our results pave the way for future investigations of the system-environment interaction leading to a better understanding of open quantum systems far from the Markovian weak-coupling limit. Published by the American Physical Society 2024
Master equations play a pivotal role in investigating open quantum systems. In particular, the Bloch-Redfield equation stands out due to its relation to a concrete physical environment. However, without further approximations it does not lead to a Lindblad master equation that guarantees that the density matrix stays completely positive, which has raised some concerns regarding its use. This study builds on previous efforts to transform the Bloch-Redfield framework into a mathematically robust Lindblad equation while fully preserving the effects that are lost within the secular approximation that is commonly used to guarantee positivity. These previous approaches introduced two potential deficiencies: The environment-induced energy shift can be non-Hermitian and some decay rates can be negative, violating the assumptions of Lindblad's theorem. Here we propose and evaluate straightforward solutions to both problems. Our approach offers an effective and general procedure for obtaining a Lindblad equation, derived from a concrete physical environment, while mitigating the unphysical dynamics present in the Bloch-Redfield equation.