Despite recent advances in quantum sciences, a quantum master equation that accurately and simply characterizes open quantum dynamics across extremely long timescales and in dispersive environments is still needed. In this study, we optimize the computation of the fourth-order time-convolutionless master equation to meet this need. Early versions of this master equation required computing a multidimensional integral, limiting its use. Our master equation accounts for simultaneous relaxation and dephasing, resulting in coefficients proportional to the system's spectral density over frequency derivative. In sub-Ohmic environments, this derivative induces infrared divergence in the master equation, invalidating the second-order Bloch-Redfield master equation findings. We analyze the approach to a ground state in a generic open quantum system and demonstrate that it is not reliably computed by the Bloch-Redfield equation alone. The optimized fourth-order equation shows that the ground-state approach is accurate to second order in bath coupling regardless of the dispersion, even though it can diverge in the fourth order.
Despite recent advances in quantum sciences, a quantum master equation that accurately and simply characterizes open quantum dynamics across extremely long timescales and in dispersive environments is still needed. In this study, we optimize the computation of the fourth-order time-convolutionless master equation to meet this need. Early versions of this master equation required computing a multidimensional integral, limiting its use. Our master equation accounts for simultaneous relaxation and dephasing, resulting in coefficients proportional to the system's spectral density over frequency derivative. In sub-Ohmic environments, this derivative induces infrared divergence in the master equation, invalidating the second-order Bloch-Redfield master equation findings. We analyze the approach to a ground state in a generic open quantum system and demonstrate that it is not reliably computed by the Bloch-Redfield equation alone. The optimized fourth-order equation shows that the ground-state approach is accurate to second order in bath coupling regardless of the dispersion, even though it can diverge in the fourth order.
Quantum master equations are commonly used to model the dynamics of open quantum systems, but their accuracy is rarely compared with the analytical solution of exactly solvable models. In this work, we perform such a comparison for the damped Jaynes-Cummings model of a qubit in a leaky cavity, for which an analytical solution is available in the one-excitation subspace. We consider the non-Markovian time-convolutionless master equation up to the second (Redfield) and fourth orders as well as three types of Markovian master equations: the coarse-grained, cumulant, and standard rotating-wave approximation (RWA) Lindblad equations. We compare the exact solution to these master equations for three different spectral densities: impulse, Ohmic, and triangular. We demonstrate that the coarse-grained master equation outperforms the standard RWA-based Lindblad master equation for weak coupling or high qubit frequency (relative to the spectral density high-frequency cutoff ${\ensuremath{\omega}}_{c}$), where the Markovian approximation is valid. In the presence of non-Markovian effects characterized by oscillatory, nondecaying behavior, the time-convolutionless approximation closely matches the exact solution for short evolution times (in units of ${\ensuremath{\omega}}_{c}^{\ensuremath{-}1}$) even outside the regime of validity of the Markovian approximations. For long evolution times, all master equations perform poorly, as quantified in terms of the trace-norm distance from the exact solution. The fourth-order time-convolutionless master equation achieves the top performance in all cases. Our results highlight the need for reliable approximation methods to describe open-system quantum dynamics beyond the short-time limit.
Abstract Understanding nonsecular dynamics in open quantum systems is addressed here, with emphasis on systems with large numbers of Bohr frequencies, zero temperature, and fast driving. We employ the master equation, which replaces arithmetic averages of the decay rates in the open system, with their geometric averages, and find that it can improve the second order perturbation theory, known as the Redfield equation, while enforcing complete positivity on quantum dynamics. The characteristic frequency scale that governs the approximation is the minimax frequency: the minimum of the maximum system oscillation frequency and the bath relaxation rate; this needs to be larger than the dissipation rate for it to be valid. The concepts are illustrated on the Heisenberg ferromagnetic spin-chain model. To study the accuracy of the approximation, a Hamiltonian is drawn from the Gaussian unitary ensemble, for which we calculate the fourth order time-convolutionless master equation, in the Ohmic bath at zero temperature. Enforcing the geometric average, decreases the trace distance to the exact solution. Dynamical decoupling of a qubit is examined by applying the Redfield and the geometric-arithmetic master equations, in the interaction picture of the time dependent system Hamiltonian, and the results are compared to the exact path integral solution. The geometric-arithmetic approach is significantly simpler and can be super-exponentially faster compared to the Redfield approach.
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.
We develop a Markovian master equation in the Lindblad form that enables the efficient study of a wide range of open quantum many-body systems that would be inaccessible with existing methods. The validity of the master equation is based entirely on properties of the bath and the system-bath coupling, without any requirements on the level structure within the system itself. The master equation is derived using a Markov approximation that is distinct from that used in earlier approaches. We provide a rigorous bound for the error induced by this Markov approximation; the error is controlled by a dimensionless combination of intrinsic correlation and relaxation timescales of the bath. Our master equation is accurate on the same level of approximation as the Bloch-Redfield equation. In contrast to the Bloch-Redfield approach, our approach ensures preservation of the positivity of the density matrix. As a result, our method is robust, and can be solved efficiently using stochastic evolution of pure states (rather than density matrices). We discuss how our method can be applied to static or driven quantum many-body systems, and illustrate its power through numerical simulation of a spin chain that would be challenging to treat by existing methods.
Data of the numerical solution of the time-dependent Schrödinger equation of a system containing one spin-1/2 particle interacting with a bath of up to 32 spin-1/2 particles is used to construct a Markovian quantum master equation describing the dynamics of the system spin. The procedure of obtaining this quantum master equation, which takes the form of a Bloch equation with time-independent coefficients, accounts for all non-Markovian effects inasmuch the general structure of the quantum master equation allows. Our simulation results show that, with a few rather exotic exceptions, the Bloch-type equation with time-independent coefficients provides a simple and accurate description of the dynamics of a spin-1/2 particle in contact with a thermal bath. A calculation of the coefficients that appear in the Redfield master equation in the Markovian limit shows that this perturbatively derived equation quantitatively differs from the numerically estimated Markovian master equation, the results of which agree very well with the solution of the time-dependent Schrödinger equation.
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.