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arXiv:2211.05701

Effective Hamiltonian theory of open quantum systems at strong coupling

Nicholas Anto-Sztrikacs, Ahsan Nazir, Dvira Segal

Published Nov 10, 2022• 0 citations
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Abstract

We present the reaction-coordinate polaron-transform (RCPT) framework for generating effective Hamiltonian models to treat nonequilibrium open quantum systems at strong coupling with their surroundings. Our approach, which is based on two exact transformations of the Hamiltonian followed by its controlled truncation, ends with a new Hamiltonian with a weakened coupling to the environment. This new effective Hamiltonian mirrors the initial one, except that its parameters are dressed by the system-bath couplings. The power and elegance of the RCPT approach lie in its generality and in its mathematical simplicity, allowing for analytic work and thus profound understanding of the impact of strong system-bath coupling effects on open quantum system phenomena. Examples interrogated in this work include canonical models for quantum thermalization, charge and energy transport at the nanoscale, performance bounds of quantum thermodynamical machines such as absorption refrigerators and thermoelectric generators, as well as the equilibrium and nonequilibrium behavior of many-body dissipative spin chains.

DOI
10.48550/arxiv.2211.05701

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We present an analytic approach to treat open quantum systems strongly coupled to multiple environments via noncommuting system operators: a prime example is a qubit concurrently coupled to both decohering and dissipative baths. Our approach, which accommodates strong system-bath couplings, generalizes the recently developed reaction-coordinate polaron transform method [N. Anto-Sztrikacs et al., PRX Quantum 4, 020307 (2023)] to handle couplings to baths via noncommuting system operators. Our approach creates an effective Hamiltonian that reveals the cooperative effect of the baths on the system. For a spin impurity coupled to both dissipative and decohering environments, the effective Hamiltonian predicts the suppression of relaxation by decoherence, a phenomenon previously observed in simulations but lacking so far a theoretical foundation. We also apply the method to an ensemble of spins coupled to local baths through noncommuting operators, demonstrating the engineering of the Kitaev XY spin chain interaction. Noncommutativity is a feature of quantum systems; future prospects of our approach include the study of thermal machines that leverage such genuine quantum effects.
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We advance the compact dressed Hamiltonian (CDH) framework to simulate the dynamics of open quantum systems strongly coupled to structured bosonic environments. The CDH approach combines reaction-coordinate mapping with a polaron transformation, incorporating strong system-environment hybridization into a dressed representation before truncating the collective bosonic mode. As a result of this truncation, dynamical features are captured with substantially fewer states than in the original representation. The residual environment is treated using a weak-coupling Markovian quantum master equation. We benchmark the method for spin-boson-type models including a single spin, coupled spins, and spin ensembles, considering both resonant and off-resonant regimes and weak to strong system-bath coupling. Comparisons with hierarchical equations of motion and converged reaction-coordinate calculations demonstrate that the CDH representation systematically approaches the reference dynamics with a compact Hilbert space, accurately reproducing oscillation frequencies, relaxation behavior, and long-time populations over a broad parameter regime. The method further captures cooperative phenomena, including bath-mediated interactions, synchronization between spins, and signatures for collective emission. Beyond efficient time propagation, the CDH framework provides direct access to the spectrum and eigenmodes of the Liouvillian. We demonstrate that slow dynamical modes converge rapidly in the CDH representation, enabling identification of relaxation timescales without fitting time-dependent observables. As a whole, the CDH framework provides an efficient and physical description of strongly coupled open quantum-system dynamics.
Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the analytical insight provided by theoretical approaches. In this study, we employ the recently developed method dubbed the effective Hamiltonian theory to understand the dynamics of system-bath configurations without resorting to a perturbative description of the system-bath coupling energy. Through a combination of mapping steps and truncation, the effective Hamiltonian theory offers both analytical insights into signatures of strong couplings in open quantum systems and a straightforward path for numerical simulations. To validate the accuracy of the method, we apply it to two canonical models: a single spin immersed in a bosonic bath and two noninteracting spins in a common bath. In both cases, we study the transient regime and the steady state limit at nonzero temperature and spanning system-bath interactions from the weak to the strong regime. By comparing the results of the effective Hamiltonian theory with numerically exact simulations, we show that although the former overlooks non-Markovian features in the transient equilibration dynamics, it correctly captures non-perturbative bath-generated couplings between otherwise non-interacting spins, as observed in their synchronization dynamics and correlations. Altogether, the effective Hamiltonian theory offers a powerful approach for understanding strong coupling dynamics and thermodynamics, capturing the signatures of such interactions in both relaxation dynamics and in the steady state limit.
A central challenge in the theory of open quantum systems is the development of theoretical frameworks capable of accurately describing large, strongly interacting quantum many-body systems in the regime of strong system-bath interactions. In this work, we take a step toward this goal by formulating a polaron-transformed version of the canonically consistent quantum master equation (CCQME) [T. Becker \emph{et~al.}, Phys. Rev. Lett. \textbf{129}, 200403 (2022)]. The CCQME extends beyond standard weak coupling approaches while retaining the same numerical complexity as conventional quantum master equations, thereby enabling the treatment of large quantum systems. The polaron transformation further enhances the accessible system-bath interaction strengths, allowing us to move from moderate to ultra-strong interaction regimes. We present a unified and transparent derivation of these two approaches and combine them to obtain the polar-transformed CCQME (PT-CCQME). Applying our method to the paradigmatic spin boson model, we find excellent agreement with numerically exact time-evolving matrix product operator (TEMPO) simulations. Finally, we predict an initial-state-independent \emph{slowing} down of thermalization in the strong-coupling regime of the spin-boson model.