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arXiv:2012.10236 · Physical review. B./Physical review. B

Periodically refreshed baths to simulate open quantum many-body dynamics

Archak Purkayastha, Giacomo Guarnieri, Steve Campbell, Javier Prior, John Goold

Published Jul 19, 2021• 48 citations
arXivHTMLPDF

Abstract

Obtaining dynamics of an interacting quantum many-body system connected to multiple baths initially at different, finite, temperatures and chemical potentials is a challenging problem. This is due to a combination of the prevalence of strong correlations in the system, the infinite nature of the baths and the long time to reach steady state. In this paper, we develop a general formalism that allows access to the full non-Markovian dynamics of such open quantum many-body systems up to the nonequilibrium steady state, provided its uniqueness. Specifically, we show how finite-time evolution in the presence of finite-sized baths, whose opportune size is determined by their original spectral density, can be recursively used to faithfully reconstruct the exact dynamics without requiring any small parameter. Such a reconstruction is possible even in parameter regimes which would otherwise be inaccessible by current state-of-the-art techniques. We specifically demonstrate this by obtaining the full numerically exact non-Markovian dynamics of interacting fermionic chains in two terminal setups with finite temperature and voltage biases, a problem which previously remained outstanding despite its relevance in a wide range of contexts, for example, quantum heat engines and refrigerators.

DOI
10.1103/physrevb.104.045417

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Obtaining dynamics of an interacting quantum many-body system connected to multiple baths initially at different, finite, temperatures and chemical potentials is a challenging problem. This is due to a combination of the prevalence of strong correlations in the system, the infinite nature of the baths and the long time to reach steady state. In this paper, we develop a general formalism that allows access to the full non-Markovian dynamics of such open quantum many-body systems up to the nonequilibrium steady state, provided its uniqueness. Specifically, we show how finite-time evolution in the presence of finite-sized baths, whose opportune size is determined by their original spectral density, can be recursively used to faithfully reconstruct the exact dynamics without requiring any small parameter. Such a reconstruction is possible even in parameter regimes which would otherwise be inaccessible by current state-of-the-art techniques. We specifically demonstrate this by obtaining the full numerically exact non-Markovian dynamics of interacting fermionic chains in two terminal setups with finite temperature and voltage biases, a problem which previously remained outstanding despite its relevance in a wide range of contexts, for example, quantum heat engines and refrigerators.
The most general description of quantum evolution up to a time τ is a completely positive tracing preserving map known as a dynamical mapΛ̂(τ). Here, we consider Λ̂(τ) arising from suddenly coupling a system to one or more thermal baths with a strength that is neither weak nor strong. Given no clear separation of characteristic system/bath time scales, Λ̂(τ) is generically expected to be non-Markovian; however, we do assume the ensuing dynamics has a unique steady state, implying the baths possess a finite memory time τm. By combining several techniques within a tensor network framework, we directly and accurately extract Λ̂(τ) for a small number of interacting fermionic modes coupled to infinite non-interacting Fermi baths. First, we use an orthogonal polynomial mapping and thermofield doubling to arrive at a purified chain representation of the baths whose length directly equates to a time over which the dynamics of the infinite baths is faithfully captured. Second, we employ the Choi-Jamiolkowski isomorphism so that Λ̂(τ) can be fully reconstructed from a single pure state calculation of the unitary dynamics of the system, bath and their replica auxiliary modes up to time τ. From Λ̂(τ), we also compute the time local propagator L̂(τ). By examining the convergence with τ of the instantaneous fixed points of these objects, we establish their respective memory times τmΛ and τmL. Beyond these times, the propagator L̂(τ) and dynamical map Λ̂(τ) accurately describe all the subsequent long-time relaxation dynamics up to stationarity. These timescales form a hierarchy τmL≤τmΛ≤τre, where τre is a characteristic relaxation time of the dynamics. Our numerical examples of interacting spinless Fermi chains and the single impurity Anderson model demonstrate regimes where τre ≫ τm, where our approach can offer a significant speedup in determining the stationary state compared to directly simulating the long-time limit. Our results also show that having access to Λ̂(τ) affords a number of insightful analyses of the open system thus far not commonly exploited.
Collision models provide a simple and versatile setting to capture the dynamics of open quantum systems. The standard approach to thermalization in this setting involves an environment of independent and identically prepared thermal qubits, interacting sequentially for a finite duration Δ t with the system. We compare this to a two-bath scenario in which collisional qubits are prepared in either their ground or excited states and the environment temperature is encoded in system-environment couplings. The system reaches the same thermal steady state for both settings, although even in this limit they describe fundamentally different physical processes, with the two-bath setup yielding a nonequilibrium state with finite heat currents. Non-Markovian dynamics arises when intraenvironment interactions in either setting are introduced. Here the system in the single-bath setup again reaches a steady state at the canonical temperature of the bath, but the nonequilibrium steady state of the two-bath setup tends to a different temperature due to the generation of strong system-environment and intraenvironment correlations. The two-bath setting is particularly suited to studying quantum trajectories, which are well defined also for the non-Markovian case. We showcase this with a trajectory analysis of the heat currents within a two-point measurement scheme. Finally, we consider how our results are impacted when the system-environment interaction leads to strict homogenization. Our results provide insights into the dynamics and thermodynamics of thermalization towards nonequilibrium steady states and the role of non-Markovian interactions.
We introduce a general numerical method to compute the dynamics and multitime correlations of chains of quantum systems, where each system may couple strongly to a structured environment. The method combines the process tensor formalism for general (possibly non-Markovian) open quantum systems with time-evolving block decimation for one-dimensional chains. It systematically reduces the numerical complexity originating from system-environment correlations before integrating them into the full many-body problem, making a wide range of applications numerically feasible. We illustrate the power of this method by studying two examples. First, we study the thermalization of individual spins of a short XYZ Heisenberg chain with strongly coupled thermal leads. Our results confirm the complete thermalization of the chain when coupled to a single bath, and they reveal distinct effective temperatures in low-, mid-, and high-frequency regimes when the chain is placed between a hot and a cold bath. Second, we study the dynamics of diffusion in a longer XY chain, when each site couples to its own bath.
In this thesis we develop a systematic formalism that allows the calculation of transport properties for small quantum systems coupled to multiple baths with different temperatures and/or chemical potentials. Our approach is based on a generalization of the projector operator technique, previously used to study the evolution towards equilibrium of systems weakly coupled to a single bath. Applying this technique to a system weakly coupled to multiple baths, we find a dynamical equation for the reduced density matrix of the system (the reduced density matrix is obtained by tracing out from the total density matrix the baths’ degrees of freedom). Integration of this dynamical equation gives the time evolution of the biased system. After a time interval long enough compared to the characteristic time-scales of the problem, the system arrives to a non-equilibrium steady-state. The density matrix in this non-equilibrium steady state can also be calculated directly, avoiding the time-integration of the dynamical equation. In the second part of the thesis we study non-equilibrium steady states and heat transport through short spin chains coupled to two thermal baths with different temperature. Two new definitions for the local temperature in nonequilibrium are proposed, based on local spin and energy at different sites. The definition based on the local energy seems to be more reliable. We find that for small biases, the heat and spin currents increase proportionally to the bias, however non-linear behavior is observed for large biases. The temperature profile of the chain depends strongly on the parameters of the system.
There is presently considerable interest in accurately simulating the evolution of open systems for which Markovian master equations fail. Examples are systems that are time dependent and/or strongly damped. A number of elegant methods have now been devised to do this, but all use a bath consisting of a continuum of harmonic oscillators. While this bath is clearly appropriate for, e.g., systems coupled to the electromagnetic field, it is not so clear that it is a good model for generic many-body systems. Here we explore a different approach to exactly simulating open systems: using a finite bath chosen to have certain key properties of thermalizing many-body systems. To explore the numerical resources required by this method to approximate an open system coupled to an infinite bath, we simulate a weakly damped system and compare to the evolution given by the relevant Markovian master equation. We obtain the Markovian evolution with reasonable accuracy by using an additional averaging procedure, and elucidate how the typicality of the bath generates the correct thermal steady state via the process of "eigenstate thermalization."
We establish a generic method to analyze the time evolution of open quantum many-body systems. Our approach is based on a variational integration of the quantum master equation describing the dynamics and naturally connects to a variational principle for its nonequilibrium steady state. We successfully apply our variational method to study dissipative Rydberg gases, finding very good quantitative agreement with small-scale simulations of the full quantum master equation. We observe that correlations related to non-Markovian behavior play a significant role during the relaxation dynamics towards the steady state. We further quantify this non-Markovianity and find it to be closely connected to an information-theoretical measure of quantum and classical correlations.