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Nanomaterials

Accurate Truncations of Chain Mapping Models for Open Quantum Systems

Mónica Sánchez-Barquilla, Johannes Feist

Published Aug 19, 2021• 11 citations
Publisher

Abstract

The dynamics of open quantum systems are of great interest in many research fields, such as for the interaction of a quantum emitter with the electromagnetic modes of a nanophotonic structure. A powerful approach for treating such setups in the non-Markovian limit is given by the chain mapping where an arbitrary environment can be transformed to a chain of modes with only nearest-neighbor coupling. However, when long propagation times are desired, the required long chain lengths limit the utility of this approach. We study various approaches for truncating the chains at manageable lengths while still preserving an accurate description of the dynamics. We achieve this by introducing losses to the chain modes in such a way that the effective environment acting on the system remains unchanged, using a number of different strategies. Furthermore, we demonstrate that extending the chain mapping to allow next-nearest neighbor coupling permits the reproduction of an arbitrary environment, and adding longer-range interactions does not further increase the effective number of degrees of freedom in the environment.

DOI
10.3390/nano11082104

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The dynamics of open quantum systems are of great interest in many research fields, such as for the interaction of a quantum emitter with the electromagnetic modes of a nanophotonic structure. A powerful approach for treating such setups in the non-Markovian limit is given by the chain mapping where an arbitrary environment can be transformed to a chain of modes with only nearest-neighbor coupling. However, when long propagation times are desired, the required long chain lengths limit the utility of this approach. We study various approaches for truncating the chains at manageable lengths while still preserving an accurate description of the dynamics. We achieve this by introducing losses to the chain modes in such a way that the effective environment acting on the system remains unchanged, using a number of different strategies. Furthermore, we demonstrate that extending the chain mapping to allow next-nearest neighbor coupling permits the reproduction of an arbitrary environment, and adding longer-range interactions does not further increase the effective number of degrees of freedom in the environment.
Open quantum systems have drawn attention over decades due to its applicability in the foundation of theoretical physics, e.g. statistical mechanics, quantum mechanics and condensed matter physics. The dynamics of open quantum systems has been described as separate entities from their surrounding environment that consists of a very large number of modes, somehow coupled to the mode of the system. Even though the exact solution of the dynamical behavior of the system is impossible to calculate, we obtain a tentative solution using the crucial Markov approximation. The input-output formalism of the quantum Langevin equation (QLE) has been considered as a useful tool which provides a semi-classical description of the dynamics of the system, whereas the master equation provides a complete picture of the dynamics of the system expressed in terms of density matrix. While studying the dynamics of nonlinear system/environment coupling using QLE, we see, for a small value of external field, that the steady state system field does not change much from the steady state field obtained in the absence of nonlinear dissipation. However, in a case where a stronger external field is applied, we see that the deviation becomes substantial from the solution of linear system. We also see that the nonlinear coupling introduces significant difference in the cavity fluctuation spectrum. The description, therefore, provides a potential explanation of parametric effects in terms of nonlinear dissipation phenomena associated with the nonlinear coupling. Even though the theories developed in the context of open quantum systems have proven to be powerful tools, they do not provide a satisfactory platform to be implemented on non-linear Hamiltonians. We often approximate it by linearizing over nonlinear steady state field amplitude, and therefore, the interesting effects are often overlooked. The limitation of the analytics provokes us to simulate open quantum dynamics numerically. The numerical method consists of transformation of the environmental degrees of freedom to a one-dimensional many-body chain, and the computational technique includes numerical diagonalization and renormalization process. The time-adaptive density matrix renormalisation group (t-DMRG) is known as one of the most powerful techniques for the simulation of strongly-correlated many-body quantum systems. In this thesis, along with the theoretical modeling, we implement DMRG numerical scheme for the simulation of canonical S/B model by mapping it to one-dimensional harmonic chain with nearest neighbor interactions, and use the method to investigate the dynamics of the free dissipative system. The thermalization of open quantum systems is also studied by generating minimally entangled typical thermal states (METTS) through imaginary time evolution, and real-time evolving an empty system in the presence of the thermal bath. Further, we simulate coherently driven free dissipative Kerr nonlinear system numerically using Euler's method by solving Heisenberg equation of motion and t-DMRG algorithm, and demonstrate how the numerical results are analogous to classical bistability. By comparing with analytics, we see that the DMRG numerics is analogous to the quantum-mechanical exact solution obtained by mapping the equation of motion of the density matrix of the system to a Fokker-Plank equation. The comparison between two different numerical techniques shows that the semi-classical Euler's method determines the dynamics of the system field of one among two coherent branches, whereas DMRG numerics gives the superposition of both of them. Hence, DMRG-determined time dynamics undergoes generating non-classical states. Our approach of dealing with nonlinearity represents an important contribution in the developments of technique to study the dynamical and steady-state behavior of open quantum systems, which is a fundamental aspect of quantum physics.
The paradigm of considering open quantum systems—i.e., focusing only on the system of interest, and treating the rest of the world as an effective environment—has proven to be a highly effective way to understand a range of quantum systems, across areas of study such as quantum optics, cold atoms, superconducting qubits, and impurities in solid-state systems. A common approach in many of these contexts has been to consider simplified approaches based on the Born and Markov approximations. While these approximations are indeed often appropriate in contexts such as quantum optics, the widespread application of these approximations has been driven more by simplicity than by accuracy. In particular, these Markovian treatments will fail in many cases, such as when coupling to the environment is not weak, when the environment is structured and has resonances, when the system couples to low-frequency modes of the environment, or when the questions of interest involve the propagation of information through the environment. Despite the fact that many real problems are non-Markovian, the Markov approximation is still widely used, as it is often assumed that a fully non-Markovian treatment is too complex to be practical. In this Perspective we discuss a recently developed set of techniques that address this challenge. Centering our discussion around the notion of the process tensor, we demonstrate that the generality of the process tensor concept, coupled with efficient tensor-network methods, opens the door to the description of a wide range of observable non-Markovian processes in a wide range of open quantum systems.
Recent advances in quantum technologies and related experiments have created a need for highly accurate, versatile, and computationally efficient simulation techniques for the dynamics of open quantum systems. Long-lived correlation effects (non-Markovianity), system-environment hybridization, and the necessity for accuracy beyond the Born-Markov approximation form particular challenges. Approaches to meet these challenges have been introduced, originating from different fields, such as hierarchical equations of motion, Lindblad-pseudomode formulas, chain-mapping approaches, quantum Brownian motion master equations, stochastic unravelings, and refined quantum master equations. This diversity, while indicative of the field's relevance, has inadvertently led to a fragmentation that hinders cohesive advances and their effective cross-community application to current problems for complex systems. How are different approaches related to each other? What are their strengths and limitations? Here we give a systematic overview and concise discussion addressing these questions. We make use of a unified framework which very conveniently allows to link different schemes and, this way, may also catalyze further progress. In line with the state of the art, this framework is formulated not in a fully reduced space of the system but in an extended state space which in a minimal fashion includes effective reservoir modes. This in turn offers a comprehensive understanding of existing methods, elucidating their physical interpretations, interconnections, and applicability.
This thesis investigates two thematic lines of research, both underpinned by non-Markovian system-reservoir interactions in quantum optics. The overarching focus is on modelling the open system dynamics in a non-perturbative fashion, broadly on - though not restricted to - instances when the environment is structured. A theory is developed by means of enlarging the open system over environmental degrees of freedom to include memory effects in its dynamics. This is achieved using an established technique that involves mapping a bosonic environment onto a 1D chain of harmonic oscillators. Within this setting, we apply a Heisenberg equation-of-motion approach to derive an exact set coupled differential equations for the open system and a single auxiliary oscillator of the chain. The combined equations are shown to have their interpretation rooted in a quantum Markov stochastic process. Including the auxiliary chain oscillator as part of the original system then enables us to obtain an exact master equation for the enlarged system, avoiding any need for the Born-Markov approximations. Our method is valid for a dissipative two-state system, with cases of multiple excitations and added driving discussed. Separately, we apply the framework of quantum Darwinism to an atom-cavity system, and, subsequently, to a more general multiple-environment model. In both cases, the time-dependent spread of correlations between the open system and fractions of the environment is analysed during the course of the decoherence process. The degree to which information is redundant across different fractions is checked to infer the emergence of classicality. In the second case, we go further and present a decomposition of information in terms of its quantum and classical correlations. A quantitative measure of redundancy is also studied with regard to its ability to witness non-Markovian behaviour. Besides fundamental interest, our results have application to quantum information processing and quantum technologies, keeping in mind the potential beneficial use of non-Markovian effects in reservoir engineering.
Quantum dynamics (QD) simulation is a powerful tool for interpreting ultrafast spectroscopy experiments and unraveling their microscopic mechanism in out-of-equilibrium excited state behaviors in various chemical, biological, and material systems. Although state-of-the-art numerical QD approaches such as the time-dependent density matrix renormalization group (TD-DMRG) already greatly extended the solvable system size of general linearly coupled exciton-phonon models with up to a few hundred phonon modes, the accurate simulation of larger system sizes or strong system-environment interactions is still computationally highly challenging. Based on quantum information theory (QIT), in this work, we realize that only a small number of effective phonon modes couple to the excitonic system directly regardless of a large or even infinite number of modes in the condensed phase environment. On top of the identified small number of direct effective modes, we propose a hierarchical mapping (HM) approach through performing block Lanczos transformations on the remaining indirect modes, which transforms the Hamiltonian matrix to a nearly block-tridiagonal form and eliminates the long-range interactions. Numerical tests on model spin-boson systems and realistic singlet fission models in a rubrene crystal environment with up to 7000 modes and strong system-environment interactions indicate HM can reduce the system size by 1-2 orders of magnitude and accelerate the calculation by ∼80% without losing accuracy.
In this thesis, we discuss aspects of the simulation, characterisation, and control of the dynamics of open quantum systems. The latter are systems governed by quantum mechanical laws and interacting with an environment, which is typically much larger than the system itself. According to the standard approach, one is usually able to perform a suitable average over the environmental degrees of freedom, resulting in an effective description of the main system dynamics, which accounts for the effects of the interaction with the surroundings. In standard scenarios, usually studied within the so-called Born-Markov approximation, the system-environment coupling is weak and such that we can perform a neat separation of timescales: the environmental dynamics is assumed to be fast compared to the typical evolution timescale of the system of interest. However, nowadays we are able to inspect physical scenarios where the usual Born-Markov approximation breaks down: the interaction between system and environment can be strong, likely leading to non-negligible memory (non-Markovian) effects. In this work, we discuss some instances in which we cannot work in the standard Born-Markov regime. We introduce and analyse some numerical and analytical techniques to characterise and simulate non-standard scenarios. We show that, even in the Markovian regime, the traditional formulation of thermodynamic irreversibility shows flaws and inconsistencies. We thus use phase-space methods to assess the role of initial correlations shared by the two parties of a bipartite harmonic system in the entropy production rate, including non-Markovian effects. Furthermore, we show that certain interactions enable to redraw the boundaries between the system and the environment in an effective manner, resulting in a new picture where the system degrees of freedom are augmented, while the residual environment is rearranged in such a way that the Born-Markov approximation is recovered. This analytical technique, known as reaction coordinate mapping approach, is employed in this work to show that, upon an accurate choice of the parameter regime, a spin-boson model can serve as a quantum analogue simulator of non-Markovian multiphoton Jaynes-Cummings models. These systematic studies shed light on the thermodynamic characterisation of open quantum systems, as well as on their numerical simulation.