In open-system approaches with non-Markovian environments, the process of inserting an individual mode (denoted as ``pseudomode'') into the bath or extracting it from the bath is widely employed. This procedure, however, is typically performed on basis of the spectral density and does not incorporate temperature. Here, we show how the (temperature-dependent) bath correlation function (BCF) transforms in such a process. We present analytic formulas for the transformed BCF and numerically study the differences between factorizing initial state and global thermal (correlated) initial state of mode and bath, respectively. We find that in the regime of strong coupling of the mode to both system and bath, the differences in the BCFs give rise to pronounced differences in the dynamics of the system.
In open-system approaches with non-Markovian environments, the process of inserting an individual mode (denoted as ``pseudomode'') into the bath or extracting it from the bath is widely employed. This procedure, however, is typically performed on basis of the spectral density and does not incorporate temperature. Here, we show how the (temperature-dependent) bath correlation function (BCF) transforms in such a process. We present analytic formulas for the transformed BCF and numerically study the differences between factorizing initial state and global thermal (correlated) initial state of mode and bath, respectively. We find that in the regime of strong coupling of the mode to both system and bath, the differences in the BCFs give rise to pronounced differences in the dynamics of the system.
Accurate simulations of thermalization in open quantum systems require a reliable representation of the bath correlation function (BCF). Numerical approaches, such as the hierarchical equations of motion and the pseudomode method, inherently approximate the BCF using a finite set of functions, which can impact simulation accuracy. In this work, we propose a practical and rigorous testing framework to assess the validity of approximate BCFs in open quantum dynamics simulations. Our approach employs a harmonic oscillator system, where the computed dynamics can be benchmarked against known exact solutions. To enable practical testing, we make two key methodological advancements. First, we develop numerical techniques to efficiently evaluate these exact solutions across a wide range of BCFs, ensuring broad applicability. Second, we introduce a moment-based state representation that significantly simplifies computations by exploiting the Gaussian nature of the system. Applications to a two-spin system and a transmon-resonator system demonstrate that our testing procedure provides error estimates that capture the qualitative trends observed in thermalization simulations. Using this methodology, we assess the performance of recently proposed BCF construction methods, highlighting both their strengths and a notable challenge posed by sub-Ohmic spectral densities at finite temperatures.
Abstract The treatment of quantum thermodynamic systems beyond weak coupling is of increasing relevance, yet extremely challenging. The evaluation of thermodynamic quantities in strong-coupling regimes requires a nonperturbative knowledge of the bath dynamics, which in turn relies on heavy numerical simulations. To tame these difficulties, considering thermal bosonic baths linearly coupled to the open system, we derive expressions for heat, work, and average system-bath interaction energy that only involve the autocorrelation function of the bath and two-time expectation values of system operators. We then exploit the pseudomode approach, which replaces the physical continuous bosonic bath with a small finite number of damped, possibly interacting, modes, to numerically evaluate these relevant thermodynamic quantities. We show in particular that this method allows for an efficient numerical evaluation of thermodynamic quantities in terms of one-time expectation values of the open system and the pseudomodes. We apply this framework to the investigation of two paradigmatic situations. In the first instance, we study the entropy production for a two-level system (TLS) coupled to an ohmic bath, simulated via interacting pseudomodes, allowing for the presence of time-dependent driving. Secondly, we consider a quantum thermal machine composed of a TLS interacting with two thermal baths at different temperatures, showing that an appropriate sinusoidal modulation of the coupling with the cold bath only is enough to obtain work extraction.
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
A full understanding of open quantum systems requires the characterization of both system and environmental properties. However, the complexity of the environmental statistics in the presence of strong system-bath hybridization and long memory effects usually prevents effective non-perturbative methods from going beyond the analysis of the reduced system dynamics. Here we present a model consisting of purified auxiliary bosonic modes to describe, alongside properties of the system, the dynamics of environmental observables for bosonic baths prepared in non-Gaussian initial states. We numerically exemplify this method by simulating non-Markovian multi-photon transfer processes on a coupled cavity waveguide system in the large time delay regime.
We unite two of the most widely used approaches for strongly damped, non-Markovian open quantum dynamics, the Hierarchical Equations of Motion (HEOM) and the pseudomode method by proving two statements: First, every physical bath correlation function (BCF) that can be written as a sum of N exponential terms can be obtained from a physical model with N interacting pseudomodes which are damped in Lindblad form. Second, for every such BCF there exists a non-unitary, linear transformation which mirrors the evolution of the system-pseudomode state onto the HEOM hierarchy, and vice versa. Our proofs are constructive and we give explicit expressions for the mirror transformation as well as for the pseudomode Lindbladian corresponding to a given exponential BCF. This approach also gives insight and provides elegant derivations of the corresponding Hierarchy of stochastic Pure States (HOPS) method and its nearly-unitary version, nuHOPS. Our result opens several avenues for further optimization of non-Markovian open quantum system dynamics methods.
2024, 161, 151101]. The approach leverages a low-rank decomposition of the Fourier-transform relation connecting the bath correlation function to its spectral density. By capturing the time, frequency, and temperature dependencies encoded in the spectral density-autocorrelation function relation, our method significantly reduces the degrees of freedom required for simulating open quantum system dynamics. We benchmark our approach against existing methods and demonstrate its efficacy through applications to both simple models and a realistic electron transfer process in biological systems. Additionally, we show that this new approach can be effectively combined with the tensor-train formalism to investigate the quantum dynamics of systems interacting with complex non-Markovian environments. Finally, we provide a perspective on the selection and application of various spectral density discretization techniques.