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arXiv:0803.3216 · Physical Review B

Effective single-particle order- N scheme for the dynamics of open noninteracting many-body systems

Yu. V. Pershin, Yonatan Dubi, Massimiliano Di Ventra

Published Aug 12, 2008• 26 citations
arXivHTMLPDF

Abstract

Quantum master equations are common tools to describe the dynamics of many-body systems open to an environment. Due to the interaction with the latter, even for the case of noninteracting electrons, the computational cost to solve these equations increases exponentially with the particle number. We propose a simple scheme, which allows to study the dynamics of $N$ noninteracting electrons taking into account both dissipation effects and Fermi statistics, with a computational cost that scales linearly with $N$. Our method is based on a mapping of the many-body system to a specific set of effective single-particle systems. We provide detailed numerical results showing excellent agreement between the effective single-particle scheme and the exact many-body one, as obtained from studying the dynamics of two different systems. In the first, we study optically-induced currents in quantum rings at zero temperature, and in the second we study a linear chain coupled at its ends to two thermal baths with different (finite) temperatures. In addition, we give an analytical justification for our method, based on an exact averaging over the many-body states of the original master equations.

DOI
10.1103/physrevb.78.054302

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Quantum master equations are common tools to describe the dynamics of many-body systems open to an environment. Due to the interaction with the latter, even for the case of noninteracting electrons, the computational cost to solve these equations increases exponentially with the particle number. We propose a simple scheme, which allows to study the dynamics of NNN noninteracting electrons taking into account both dissipation effects and Fermi statistics, with a computational cost that scales linearly with NNN. Our method is based on a mapping of the many-body system to a specific set of effective single-particle systems. We provide detailed numerical results showing excellent agreement between the effective single-particle scheme and the exact many-body one, as obtained from studying the dynamics of two different systems. In the first, we study optically-induced currents in quantum rings at zero temperature, and in the second we study a linear chain coupled at its ends to two thermal baths with different (finite) temperatures. In addition, we give an analytical justification for our method, based on an exact averaging over the many-body states of the original master equations.
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.
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.
Remarkable experimental progress and theoretical advancements in the study of strongly corre- lated systems have opened up new doors towards a better understanding of interesting states of matter. Such states could possibly be used to develop novel technological applications based on the principles of quantum mechanics. In recent years, the investigation of both complex solid state and ultracold atom systems has lead to a number of fascinating discoveries with regards to their non-equilibrium properties. One route to probe non-equilibrium physics is to consider the evolution of open systems defined by the coupling to an external environment introducing dissipation. Engineering the environment according to predefined requirements can then be used to dynamically prepare states which are difficult to access otherwise. This thesis explores the dynamics of many-body open quantum systems aiming at under- standing the effects resulting from the interplay of kinetic motion, interactions and dissipation in different physical settings. First, we build upon recent developments concerning the coupling of ultracold atoms to optical resonators which are subject to photon losses. We show how the dissipation can trigger an attractor dynamics towards a topologically non-trivial steady state that is robust against perturbations. The numerically obtained full open system evolution en- ables us to not only characterize in detail the steady state but also to analyze the features of the approaching dynamics. Second, we study the propagation of two-time correlation functions in interacting quantum spin-1/2 chains in contact with an environment causing dephasing. Pro- vided with the numerically exact full time-evolution, we identify an algebraic scaling regime where time-translation invariance breaks down and uncover the emergence of aging dynam- ics. Finally, we study a system of interacting fermionic atoms in a one-dimensional lattice with particle loss at the central site. There we report on the dissipation-induced deceleration of the non-equilibrium dynamics known as the quantum Zeno effect. As in the majority of cases quantum many-body systems are not solvable analytically, another central aspect of this thesis deals with adapting numerical methods based on matrix product state algorithms to investigate open quantum systems dynamics.
Theoretical studies of electron and energy transport in nanostructures usually involve nonequilibrium quantum impurity models, which feature a locally interacting quantum system (impurity) coupled to noninteracting bosonic and/or electronic baths each at its own equilibrium. In these models, the interplay of strong correlation, nonequilibrium effects and dissipation leads to rich and complex phenomena. As a nonequilibrium strongly correlated many-body problem, these models, except at some rare cases, have no exact analytical solution, and hence their treatment heavily relies upon numerical techniques. The goal of this thesis is to develop numerically accurate and relatively low-cost techniques for treatment of strongly correlated open nonequilibirum quantum systems. Such impurity solvers are in high demand both as standalone methods for simulation of response in nanoscale junctions and as part of divide-and-conquer schemes such as dynamical mean field theory (DMFT).For nonequilibirum open quantum systems, two characteristic energy scales governing the physics are intra-system interactions and strength of the system-baths couplings. Thus, systems strongly coupled to their baths with weak intra-system interactions or weakly coupled systems with strong local interactions can be treated within developed perturbation theory approaches. My research focuses on development of nonequilibirum dual techniques, which are capable to accurately treat situations where perturbative techniques are inapplicable due to absence of a small parameter in the system and which reduce to standard perturbative expansions in the limits of weak coupling or weak intra-system interaction. \tDual techniques rely on ability to solve exactly a simplified reference system. The latter includes exactly all intra-system interactions and accounts approximately for system-bath couplings. Dual techniques (described below) allow to account for deviation from the correct hybridization function in a organized and controlled manner of superperturbative expansion. Here, I use Markovian Lindbald quantum master equation (QME) as a solver for the reference system. In the thesis I discuss possibility of mapping between true non-Markov dynamics and simpler Markov Lindblad QME (mapping between physical and reference systems), numerical methods for the mapping and for solution of the resulting Lindblad QME, and application of the mapping in novel dual formulations: auxiliary-QME dual fermion and dual boson approaches. \tFirst I analytically prove that the continuous fermionic baths that the impurity is coupled to can be mapped onto a set of dissipative auxiliary modes under Lindblad QME. Based on this mapping, complicated non-Markovian dynamics of the open fermionic system can be treated by a much simpler Markovian Lindblad QME. However, nice mapping generally requires many auxiliary modes, and numerically only a small number of modes can be exactly diagonalized due to exponential increase of the Hilbert space. To perturbatively treat the difference between the true bath and the small-size auxiliary one, we introduce dual-fermion method. It can directly target the steady state and avoid long-time propagation. Besides current-voltage relation, it can also provide spectral functions, indicating itself as a potential impurity solver for DMFT. Furthermore, we generalize dual-fermion method to consider additionally the effects of bosonic environment; hence it is called dual-boson method. It can be used for studying electron-phonon interaction and light-matter interaction in nanojunctions. By comparing with numerically exact results we argue that both methods are very accurate and relatively cheap. \tFinally, matrix product state representation of the Lindblad QME enables us to treat a large number of auxiliary modes, which provide an exponentially improved mapping. Adding counting field to the auxiliary QME, we can compute the generating function of time-dependent full-counting statistics of electron transport, which yields not only electronic current but also higher-order cumulants (e.g., zero-frequency noise).
Mean-field Hartree theory is a central tool for mapping interacting many-body dynamics into an effective nonlinear one-particle evolution. This approximation has been also employed when the Hamiltonian that governs the many-body dynamics is not Hermitian. Indeed, non-Hermitian Hamiltonians model particle gain/loss or the evolution of open quantum systems between consecutive quantum jumps. Furthermore, the validity of the Hartree approximation for generic non-Hermitian Hamiltonians lies at the basis of a quantum algorithm for nonlinear differential equations, where the nonlinear equation is mapped into a many-body Schr\"odinger equation, which may be non-Hermitian. In this application, the mean-field approximation can be seen as a linearization method, and at the end of the algorithm, the obtained linear system is solved using the Harrow-Hassidim-Lloyd (HHL) algorithm. The non-Hermitian mean-field Hartree approximation is far from being completely understood, and no rigorous results justify its applications. Instead, it is usually presented as a heuristic extension of the Hermitian case. In the first part of this thesis, we show that this approximation can fail. We consider the most general bosonic mean-field Hamiltonian with two-body interactions and we prove that, if the Hamiltonian is not Hermitian, the Hartree equation does not capture the correct second time derivative of the one-particle marginal state at t=0t=0t=0 in the limit of infinitely many particles. We construct a series of examples that we can solve analytically or numerically, which support the failure of the Hartree approximation and give further insight into the new phenomena that arise in non-Hermitian physics. Furthermore, we consider the mean-field evolution of open quantum systems and we show how to use the mean-field approximation of open quantum systems as a linearization method of nonlinear differential equations. In the second part of this thesis, we study the mean-field dynamics of a Hermitian system of NNN interacting bosons starting from an initially condensed state. For a broad class of mean-field Hamiltonians, including models with arbitrary bounded interactions and models with unbounded interaction potentials, we prove that the probability of having nnn particles outside the condensate decays exponentially in nnn for any finite evolution time. Our results strengthen previously known bounds that provide only polynomial control on the probability of having nnn excitations. Finally, we consider the HHL algorithm. Several circuit-level variants have been proposed to simplify its implementation, including constructions in which the clock register is factorized via Hadamard gates to reduce circuit depth and entanglement. We provide a rigorous analysis of the convergence of the output towards the ideal solution, and we show that this commonly deployed variant can fundamentally alter the asymptotic convergence of the algorithm. This phenomenon is not a finite-size artifact and compromises the correctness guarantees of the factorized-clock implementation. We provide an analytic characterization of the underlying mechanism and propose a minimal and experimentally feasible modification that suffices to restore convergence while preserving the practical advantages of the simplified circuit. Our results clarify an overlooked correctness issue in a widely used HHL implementation pattern and delineate the conditions under which simplified realizations faithfully reproduce the intended algorithmic behavior.
The study of many-body quantum physics has been recently challenged by the appearance of an increasing number of experimental platforms where genuine quantum phenomena take place notwithstanding the presence of an environment and of dissipation. Exciton-polaritons, lossy atomic and molecular gases, cavity QED arrays, arrays of trapped ions and Rydberg atoms, are only few prominent examples of a long list. The present work is ideally divided into two parts, the former is devoted to methodological results; the latter to the theoretical characterization of experimental data. Whereas the notion of equilibrium has been a fruitful guide to the development of standard many-body physics, these setups are inherently out of equilibrium and their modelisation requires the introduction of new theoretical tools. Several methods for addressing this dissipative out-of-equilibrium dynamics have been proposed, based for instance on quantum trajectories, truncated Wigner expansions, tensor networks, machine learning, but the solution of many-body physics for open quantum systems remains a formidable task. Clearly, techniques developed in the framework of Hamiltonian closed systems are a continuous source of inspiration for novel developments, and in this work we present the generalization of one such technique, the so-called flow equations, to the dissipative framework where the generator of the dynamics is a linear non-Hermitian operator; notable examples include non-Hermitian Hamiltonians and Lindblad master equations. In the second part of this work we focus on two-body lossy dynamics in strongly-correlated cold atomic gases. In particular, we derive an effective description for the long-time dynamics of a spin ½ fermionic system by extending a pre-existing theory for the bosonic case.