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arXiv:2508.17970 · Computer Physics Communications

Numerical implementation of the partial secular approximation and unified master equation in structured open quantum systems

Antti Vaaranta, Marco Cattaneo

Published Nov 21, 2025• 3 citations
arXivHTMLPDF

Abstract

The Markovian dynamics of open quantum systems is typically described through Lindblad equations, which are derived from the Redfield equation via the full secular approximation. The latter neglects the rotating terms in the master equation corresponding to pairs of jump operators with different Bohr frequencies. However, for many physical systems this approximation breaks down, and thus a more accurate treatment of the slowly rotating terms is required. Indeed, more precise physical results can be obtained by performing the partial secular approximation, which takes into account the relevant time scale associated with each pair of jump operators and compares it with the time scale arising from the system-environment coupling. In this work, we introduce a general code for performing the partial secular approximation in the Redfield equation for structured open quantum systems. The code can be applied to a generic Hamiltonian of any multipartite system coupled to bosonic baths. Moreover, it can also reproduce the unified master equation, which captures the same physical behavior as the Redfield equation under the partial secular approximation, but is mathematically guaranteed to generate a completely positive dynamical map. Finally, the code can compute both the local and global version of the master equation for the same physical problem. We illustrate the code by studying the steady-state heat flow in a structured open quantum system composed of two superconducting qubits, each coupled to a bosonic mode, which in turn interacts with a thermal bath. The results in this work can be employed for the numerical study of a wide range of complex open quantum systems.

DOI
10.1016/j.cpc.2025.109948

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The Markovian dynamics of open quantum systems is typically described through Lindblad equations, which are derived from the Redfield equation via the full secular approximation. The latter neglects the rotating terms in the master equation corresponding to pairs of jump operators with different Bohr frequencies. However, for many physical systems this approximation breaks down, and thus a more accurate treatment of the slowly rotating terms is required. Indeed, more precise physical results can be obtained by performing the partial secular approximation, which takes into account the relevant time scale associated with each pair of jump operators and compares it with the time scale arising from the system-environment coupling. In this work, we introduce a general code for performing the partial secular approximation in the Redfield equation for structured open quantum systems. The code can be applied to a generic Hamiltonian of any multipartite system coupled to bosonic baths. Moreover, it can also reproduce the unified master equation, which captures the same physical behavior as the Redfield equation under the partial secular approximation, but is mathematically guaranteed to generate a completely positive dynamical map. Finally, the code can compute both the local and global version of the master equation for the same physical problem. We illustrate the code by studying the steady-state heat flow in a structured open quantum system composed of two superconducting qubits, each coupled to a bosonic mode, which in turn interacts with a thermal bath. The results in this work can be employed for the numerical study of a wide range of complex open quantum systems.
Abstract Quantum master equations are widely used to describe the dynamics of open quantum systems. All these different master equations rely on specific approximations that may or may not be justified. Starting from a microscopic model, applying the standard Born and Markov approximations results in the Redfield equation that does not guarantee to preserve positivity. The latter is typically achieved by additionally applying the secular approximation resulting in a quantum master equation in Lindblad form. There are other ways to obtain an equation in Lindblad form, one of which is the recently proposed universal Lindblad equation (ULE). It has been shown that it is in the same equivalence class of approximations as the Redfield master equation although avoiding the heuristic secular approximation (Nathan and Rudner 2020 Phys. Rev. B 102 115109). In this work, we prove that the solutions of the master equation obtained by applying the secular approximation are also obtained by an approximation of the same order as the one performed to obtain the Redfield equation. We hereby provide a mathematical justification for the secular approximation. We show that the result of applying the secular approximation is obtained naturally by applying a self-consistency argument. This shows that the resulting master equation is also in the same equivalence class of approximations as the Redfield master equation and the ULE. We furthermore give numerical considerations about the accuracy of the secular master equation compared to the ULE.
Abstract Open systems of coupled qubits are ubiquitous in quantum physics. Finding a suitable master equation to describe their dynamics is therefore a crucial task that must be addressed with utmost attention. In the recent past, many efforts have been made toward the possibility of employing local master equations, which compute the interaction with the environment neglecting the direct coupling between the qubits, and for this reason may be easier to solve. Here, we provide a detailed derivation of the Markovian master equation for two coupled qubits interacting with common and separate baths, considering pure dephasing as well as dissipation. Then, we explore the differences between the local and global master equation, showing that they intrinsically depend on the way we apply the secular approximation. Our results prove that the global approach with partial secular approximation always provides the most accurate choice for the master equation when Born–Markov approximations hold, even for small inter-system coupling constants. Using different master equations we compute the stationary heat current between two separate baths, the entanglement dynamics generated by a common bath, and the emergence of spontaneous synchronization, showing the importance of the accurate choice of approach.
Derivation of a quantum master equation for a system weakly coupled to a bath which takes into account non-secular effects, but, nevertheless, has the mathematically correct Gorini-Kossakowski-Lindblad-Sudarshan (GKLS) form (in particular, preserves positivity of the density operator) and also satisfies the standard thermodynamic properties is a known long-standing problem in theory of open quantum systems. The non-secular terms are important when some energy levels of the system or their differences (Bohr frequencies) are nearly degenerate. We provide a fully rigorous derivation of such equation based on a formalization of the weak-coupling limit for the general case.
In this paper we derive the Lindblad and Redfield forms with and without secular approximation from the Born-Markov master equation for open quantum systems. The spectral correlation tensor of bath (the Fourier transform of the bath correlation function) and then the coefficients in the two forms of the master equation are reevaluated according to the scheme in Ref.[Phys. Rev. A 99, 022118 (2019)]. They are complex numbers rather than the real numbers getting from traditional simplified methods. The dynamics of two models [one is an open three-level quantum system model, and the other is the model of phycoerythrin 545 (PE545) of modeling a photosynthesis reaction center] are studied by using the obtained equations. The non-secular Lindblad and Redfield equations with the complex coefficients predict almost the same dynamical results from the Born-Markov master equation. However, the results obtained from the traditional Lindblad and Redfield equations deviate the actual dynamics of the open quantum systems.
In various fields from quantum physics to biology, the open quantum dynamics of a system consisting of interacting subsystems emphasizes its fundamental functionality. The local approach, deriving a dissipator in a master equation by ignoring the inter-subsystem interaction, has been widely used to describe the reduced dynamics due to its robustness to keep the positivity of a density operator. However, one critique is that a stationary state obtained by the approach in the limit of weak system-environment coupling is written in the form of the Gibbs state for the partial Hamiltonian by excluding the inter-subsystem interaction from the total one of the relevant system. As an alternative, the global approach, deriving a dissipator with including the inter-subsystem interaction, under the Born--Markov and secular approximations has attracted much attention, and there is debate concerning its violation of positivity in the short-term region and/or limited parameter region for the Bohr frequencies of the subsystems. In this study, we present a formalism that leads to the time-convolutionless (time-local) master equation obtained by extending the global approach beyond the Born-Markov and secular approximations. We apply it to the excitation energy transfer between interacting sites in which only the terminal site weakly interacts with a bosonic environment of finite temperature in a manner beyond the rotating-wave approximation. We find that the formulation (1) gives the short-time behavior while preserving positivity, (2) shows the oscillatory features that the secular approximation would obscure, and (3) leads to a stationary state very near to the Gibbs state for the total Hamiltonian of the relevant system.
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.