We put forth a new class of quantum master equations that correctly reproduce the asymptotic state of an open quantum system beyond the infinitesimally weak system-bath coupling limit. Our method is based on incorporating the knowledge of the reduced steady state into its dynamics. The correction not only steers the reduced system toward a correct steady state but also improves the accuracy of the dynamics, thereby refining the archetypal Born-Markov weak-coupling second-order master equations. In case of equilibrium, we use the exact mean-force Gibbs state to correct the Redfield quantum master equation. By benchmarking it with the exact solution of the damped harmonic oscillator, we show that our method also helps correct the long-standing issue of positivity violation, albeit without complete positivity. Our method of a canonically consistent quantum master equation opens a new perspective in the theory of open quantum systems leading to a reduced density matrix accurate beyond the commonly used Redfield and Lindblad equations, while retaining the same conceptual and numerical complexity.
We put forth a new class of quantum master equations that correctly reproduce the asymptotic state of an open quantum system beyond the infinitesimally weak system-bath coupling limit. Our method is based on incorporating the knowledge of the reduced steady state into its dynamics. The correction not only steers the reduced system toward a correct steady state but also improves the accuracy of the dynamics, thereby refining the archetypal Born-Markov weak-coupling second-order master equations. In case of equilibrium, we use the exact mean-force Gibbs state to correct the Redfield quantum master equation. By benchmarking it with the exact solution of the damped harmonic oscillator, we show that our method also helps correct the long-standing issue of positivity violation, albeit without complete positivity. Our method of a canonically consistent quantum master equation opens a new perspective in the theory of open quantum systems leading to a reduced density matrix accurate beyond the commonly used Redfield and Lindblad equations, while retaining the same conceptual and numerical complexity.
We describe a method to obtain the reduced density matrix (RDM) correct up to second order in system-bath coupling in nonequilibrium steady-state situations. The RDM is obtained via a scheme based on analytic continuation, using the time-local Redfield-like quantum master equation, which was earlier used by the same authors [J. Chem. Phys. 136, 194110 (2012)] to obtain the correct thermal equilibrium description. This nonequilibrium modified Redfield solution is then corroborated with the exact RDM obtained via the nonequilibrium Green's function technique for the quantum harmonic oscillator. Lastly, the scheme is compared to different quantum master equations (QMEs), namely the time-local Redfield-like and the Lindblad-like QMEs, in order to illustrate the differences between each of these approaches.
Quantum master equations are an invaluable and highly successful tool for the approximate, yet accurate, description of undriven open quantum systems weakly coupled to their environment. In contrast, results on the description of the equally important case of driven open quantum systems using quantum master equations remain scarce. Existing approaches typically impose restrictions on the driving protocol, including, for instance, Floquet master equations for periodic driving and adiabatic master equations for slow driving. However, no generally accepted formulation for arbitrary driving has yet been established. A promising candidate from which all existing approaches can be derived by approximations based on protocol constraints is the driven Redfield master equation. Strikingly, it has received very little attention so far. A main reason is that, in analogy to its undriven counterpart, the driven Redfield master equation notoriously violates complete positivity. In the undriven case, this problem can be successfully addressed using the rotating wave approximation (RWA). For approaches derived from the driven Redfield master equation for specific protocols, such as Floquet master equations and adiabatic master equations, a generalized form of the RWA can still be applied. However, a full generalization directly applicable to the driven Redfield master equation under arbitrary driving has not yet been developed. To address this issue, we propose a straightforward and natural generalization of the RWA based on the version of the RWA used for adiabatic master equations. We then apply the driven Redfield master equation to the paradigmatic, exactly solvable model of a driven quantum harmonic oscillator coupled to a bosonic bath and benchmark it against the exact solution. In particular, we compare the original driven Redfield master equation without an RWA to its generalized RWA version. We find that the driven Redfield master equation without an RWA exhibits excellent agreement with the exact solution across all driving speeds, while the violation of complete positivity shows no notable effect. By contrast, the RWA-based version of the driven Redfield master equation fails to reproduce the dynamics accurately beyond slow driving at short times. Additionally, we analyze known adiabatic master equations, both without and with an RWA. Remarkably, the non-RWA versions agree with the exact dynamics far beyond the strictly adiabatic regime, while the RWA-based versions already show noticeable deviations even for slow driving, contrasting previous observations in the literature. Taken together, these results indicate that the driven Redfield master equation and adiabatic master equations without RWA have been significantly underestimated in their practical usefulness, whereas RWA-based approaches in driven settings may have been overestimated. This strongly suggests that future work should focus on alternative approximation methods applied to the driven Redfield master equation that preserve its high numerical accuracy while restoring complete positivity.
The Lindblad form guarantees complete positivity of a Markovian quantum master equation (QME). However, its microscopic derivation for a quantum system weakly interacting with a thermal bath requires several approximations, which may result in inaccuracies in the QME. Recently, various Lindbladian QMEs were derived without resorting to the secular approximation from the Redfield equation which does not guarantee the complete positivity. Here we explicitly calculate, in a perturbative manner, the equilibrium steady states of these Lindbladian QMEs. We compare the results with the steady state of the Redfield equation obtained from an analytic continuation method, which coincides with the so-called mean force Gibbs (MFG) state. The MFG state is obtained by integrating out the bath degrees of freedom for the Gibbs state of the total Hamiltonian. We explicitly show that the steady states of the Lindbladian QMEs are different from the MFG state. Our results indicate that manipulations of the Redfield equation needed to enforce complete positivity of a QME drives its steady state away from the MFG state. We also find that, in the high-temperature regime, both the steady states of the Lindbladian QMEs and MFG state reduce to the same Gibbs state of a system Hamiltonian under certain conditions.
Open quantum systems are ubiquitous, however, their description beyond ultraweak system-bath coupling is challenging. The standard Redfield master equation can violate positivity. Recently, Nathan and Rudner proposed an alternative equation, not suffering from this problem. The authors compare here both equations to the exact solution of a simple model. The Redfield equation performs noticeably better for transient dynamics. For the steady state it is slightly better for high temperatures, but fails at low temperatures, where the Nathan-Rudner equation is still accurate.
We present the Born-Markov approximated Redfield quantum master equation (RQME) description for an open system of noninteracting particles (bosons or fermions) on an arbitrary lattice of N sites in any dimension and weakly connected to multiple reservoirs at different temperatures and chemical potentials. The RQME can be reduced to the Lindblad equation, of various forms, by making further approximations. By studying the N=2 case, we show that RQME gives results which agree with exact analytical results for steady-state properties and with exact numerics for time-dependent properties over a wide range of parameters. In comparison, the Lindblad equations have a limited domain of validity in nonequilibrium. We conclude that it is indeed justified to use microscopically derived full RQME to go beyond the limitations of Lindblad equations in out-of-equilibrium systems. We also derive closed-form analytical results for out-of-equilibrium time dynamics of two-point correlation functions. These results explicitly show the approach to steady state and thermalization. These results are experimentally relevant for cold atoms, cavity QED, and far-from-equilibrium quantum dot experiments.
Abstract We introduce a systematic approximation for an efficient evaluation of Born–Markov master equations for steady state transport studies in open quantum systems out of equilibrium: the energy resolved master equation approach. The master equation is formulated in the eigenbasis of the open quantum system and build successively by including eigenstates with increasing grandcanonical energies. In order to quantify convergence of the approximate scheme we introduce quality factors to check preservation of trace, positivity and hermiticity. Furthermore, we discuss different types of master equations that go beyond the commonly used secular approximation in order to resolve coherences between quasi-degenerate states. For the discussion of complete positivity we introduce a canonical Redfield–Bloch master equation and compare it to a previously derived master equations in Lindblad form with and without using the secular approximation. The approximate scheme is benchmarked for a six orbital quantum system which shows destructive quantum interference under the application of a bias voltage. The energy resolved master equation approach presented here makes quantum transport calculations in many-body quantum systems numerically accessible also beyond six orbitals with a full Hilbert space of the order of ∼106.