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Journal of Mathematical Physics

Studies in the C*-Algebraic Theory of Nonequilibrium Statistical Mechanics: Dynamics of Open and of Mechanically Driven Systems

E. Presutti, E. Scacciatelli, Geoffrey L. Sewell, Franco Wanderlingh

Published Aug 1, 1972• 18 citations
Publisher

Abstract

We construct a C*-algebraic formulation of the dynamics of a pair of mutually interacting quantum-mechanical systems S̃ and Ŝ, the former being finite and the latter infinite. Our basic assumptions are that: (i) Ŝ, when isolated, satisfies the Dubin-Sewell dynamical axioms; (ii) the coupling between S̃ and Ŝ is energetically bounded and spatially localized; and (iii) the initial states of S̃ and Ŝ are mutually uncorrelated, with S̃ in an arbitrary normal state and Ŝ in a Gibbs state. Our formulation leads to a rigorous theory of (a) the dynamics of a finite open system, i.e., of a finite system (S̃) coupled to an ``infinite reservoir'' (Ŝ), and of (b) the dynamics of an infinite system (Ŝ), driven from equilibrium by a ``signal generator'' (S̃). As regards (a), we show that the state of S̃ always remains normal, and we derive a generalized master equation (in an appropriate Banach space) governing its temporal evolution. As regards (b), we show that the state of Ŝ always corresponds to a (time-dependent) density matrix in the representation space of the algebra of observables for Ŝ, induced by the initial Gibbs state. By formulating the linear part (appropriately defined) of the response of Ŝ to S̃, we generalize the fluctuation-dissipation theorem to infinite systems. Further, we show that the total effect of S̃ on Ŝ reduces to that of a ``classical'' time-dependent external force in cases where the initial state of S̃ possesses certain coherence properties similar to those of the Glauber type.

DOI
10.1063/1.1666101

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We construct a C*-algebraic formulation of the dynamics of a pair of mutually interacting quantum-mechanical systems S̃ and Ŝ, the former being finite and the latter infinite. Our basic assumptions are that: (i) Ŝ, when isolated, satisfies the Dubin-Sewell dynamical axioms; (ii) the coupling between S̃ and Ŝ is energetically bounded and spatially localized; and (iii) the initial states of S̃ and Ŝ are mutually uncorrelated, with S̃ in an arbitrary normal state and Ŝ in a Gibbs state. Our formulation leads to a rigorous theory of (a) the dynamics of a finite open system, i.e., of a finite system (S̃) coupled to an infinite reservoir'' (Ŝ), and of (b) the dynamics of an infinite system (Ŝ), driven from equilibrium by a signal generator'' (S̃). As regards (a), we show that the state of S̃ always remains normal, and we derive a generalized master equation (in an appropriate Banach space) governing its temporal evolution. As regards (b), we show that the state of Ŝ always corresponds to a (time-dependent) density matrix in the representation space of the algebra of observables for Ŝ, induced by the initial Gibbs state. By formulating the linear part (appropriately defined) of the response of Ŝ to S̃, we generalize the fluctuation-dissipation theorem to infinite systems. Further, we show that the total effect of S̃ on Ŝ reduces to that of a ``classical'' time-dependent external force in cases where the initial state of S̃ possesses certain coherence properties similar to those of the Glauber type.
A theoretical framework for the nonequilibrium statistical mechanics of open systems is constructed. This is concerned with a formulation of a generalized master equation governing the evolution of an arbitrary system S in interaction with a ``large'' reservoir R. The dynamics of S are analyzed on the basis of a precise quantum-mechanical treatment of the microscopic equations of motion for the combined system S + R. On proceeding to the thermodynamical limit for R we obtain a generalized master equation for S, subject to specified conditions on the many-particle structure of R, its initial state, and its coupling to S. This master equation corresponds to a self-contained law of motion for S, in which the R variables appear only in the forms of certain thermal averages, taken over the initial state. This dynamical law is a generalization of the quantum-mechanical Liouville equation to a form appropriate to open systems.
The algebraic formulation of quantum statistical mechanics is extended so as to include local unbounded observables. We start, in a usual way, with a C*-algebra U of quasilocal bounded observables in Fock space HF, an arbitrary, locally normal state φ on U, and a corresponding Gel'fand-Naimark-Segal (GNS) representation Rφ of U in a Hilbert space Hφ. We then construct a set QL of local, closed operators whose domains are dense in HF, such that QL includes all the local observables of the system. The representation Rφ is then extended so as to provide a *-homomorphism of HL into the closed, densely defined operators in Hφ. Correspondingly, a number of results previously established for the local bounded observables are extended to the unbounded ones. For appropriate classes of locally normal states, these extended results include the Kubo-Martin-Schwinger boundary conditions, the spatially asymptotic and ergodic properties of space-correlation functions, and the temporally ergodic properties of time-correlation functions. It is also shown that, for locally normal Gibbs states, the time correlations between elements of a specified subset of QL are thermodynamical limits of the corresponding correlations for finite systems.
We explore some aspects of nonequilibrium statistical mechanics of classical and quantum systems. Two chapters are devoted to fluctuation theorems which were originally derived for classical systems. The main challenge in formulating them in quantum mechanics is the fact that fundamental quantities of interest, like work, are defined via the classical concept of a phase space trajectory. We utilize the decoherent histories conceptual framework, in which classical trajectories emerge in quantum mechanics as a result of coarse graining, and provide a first-principles analysis of the nonequilibrium work relation of Jarzynski and Crooks's fluctuation theorem for a quantum system interacting with a general environment based on the quantum Brownian motion (QBM) model. We indicate a parameter range at low temperatures where the theorems might fail in their original form. Fluctuation theorems of Jarzynski and Crooks for systems obeying classical Hamiltonian dynamics are derived under the assumption that the initial conditions are sampled from a canonical ensemble, even though the equilibrium state of an isolated system is typically associated with the microcanonical ensemble. We address this issue through an exact analysis of the classical Brownian motion model. We argue that a stronger form of ensemble equivalence than usually discussed in equilibrium statistical mechanics is required for these theorems to hold in the infinite environment limit irrespective of the ensemble used, and proceed to prove it for this model. An exact expression for the probability distribution of work is obtained for finite environments. Intuitively one expects a system to relax to an equilibrium state when brought into contact with a thermal environment. Yet it is important to have rigorous results that provide conditions for equilibration and characterize the equilibrium state. We consider the dynamics of open quantum systems using the Langevin and master equations and rigorously show that under fairly general conditions quantum systems interacting with a heat bath relax to the equilibrium state defined as the reduced thermal state of the system plus environment, even in the strong coupling regime. Our proof is valid to second-order in interaction strength for general systems and exact for the linear QBM model, for which we also show the equivalence of multi-time correlations. In the final chapter we give a sampling of our investigations into macroscopic quantum phenomena. We work out in detail a specific example of how and under what conditions the center of mass (CoM) coordinate of a macroscopic object emerges as the relevant degree of freedom. Interaction patterns are studied in terms of the couplings they induce between the CoM and relative coordinates of two macroscopic objects. We discuss the implications of these interaction patterns on macroscopic entanglement.
Exact and approximate master equations were derived by the projection operator method for the reduced statistical operator of a multi-level quantum system with finite number N of quantum eigenstates interacting with arbitrary external classical fields and dissipative environment simultaneously. It was shown that the structure of these equations can be simplified significantly if the free Hamiltonian driven dynamics of an arbitrary quantum multi-level system under the influence of the external driving fields as well as its Markovian and non-Markovian evolution, stipulated by the interaction with the environment, are described in terms of the SU(N) algebra representation. As a consequence, efficient numerical methods can be developed and employed to analyze these master equations for real problems in various fields of theoretical and applied physics. It was also shown that literally the same master equations hold not only for the reduced density operator but also for arbitrary nonequilibrium multi-time correlation functions as well under the only assumption that the system and the environment are uncorrelated at some initial moment of time. A calculational scheme was proposed to account for these lost correlations in a regular perturbative way, thus providing additional computable terms to the correspondent master equations for the correlation functions.
We develop an exact analytical framework for studying the nonequilibrium dynamics of interacting quantum harmonic oscillators coupled to a modelled thermal reservoir and driven by external classical fields. The total Hamiltonian is diagonalized via successive Bogoliubov transformations, enabling a nonperturbative treatment of dissipation and driving. For two coupled oscillators with an external source applied to the first, we derive explicit energy expressions and analyze their dependence on coupling and bath parameters. The phase-space structure is characterized through Husimi QQQ-functions for initial separable coherent and number states. We obtain the reduced density matrix elements in the number-state basis and demonstrate that, in the absence of driving and at zero temperature, the reduced density matrix of the main system satisfies the Lindblad master equation. A generating function for the Husimi function is introduced to facilitate computation of higher-order correlations. The analysis is then generalized to nnn interacting oscillators, with analytical energy expressions provided and the case n=3n=3n=3 examined in detail. Our results establish a versatile and exact framework for driven-dissipative quantum systems, with potential applications in quantum thermodynamics, open quantum systems, and many-body physics.
The theory of open quantum systems represents one of the major developments of quantum mechanics over the last 50 years. Its central object of study is constituted by quantum systems that cannot be regarded as fully isolated, but instead interact with additional degrees of freedom, giving rise to irreversible phenomena such as dissipation and decoherence. The tools provided by this framework are nowadays of paramount importance across many active areas of research, including quantum computation, thermodynamics, metrology and biology. In this thesis, we investigate three main topics within the field. The first contribution concerns the microscopic derivation of the evolution equations, socalled quantum master equations, for open systems which are also subject to external driving fields. Standard techniques developed for time-independent Hamiltonians encounter several difficulties in the time-dependent case, largely restricting their applicability to specific instances, such as periodic or adiabatic drivings. In contrast, a core result of the derivation presented in the thesis is that, when the environment is sufficiently Markovian (essentially, memoryless), the non-adiabatic contributions to the driving field can be neglected in a controlled fashion, yielding an accurate master equation with time-dependent generator, capable of correctly reproducing the open dynamics even for strong drivings. This result is further supported by benchmarks against numerically exact simulations. The second contribution addresses the long-time behavior of general types of (Markovian) quantum master equations, including those of the form introduced above. While this problem has been extensively analyzed in the time-independent setting, virtually no results are known for time-dependent generators. In particular, we establish the foundations of a general theory of relaxation, that is, convergence towards an asymptotic trajectory in the long-time limit, independently of the initial state. The main results include a theorem guaranteeing sufficient conditions for relaxation and the derivation of a rate function governing the convergence to the asymptotic trajectory. The analysis is further extended to a simple non-Markovian case. Moreover, we treat in detail the specific master equation derived in the first part, connecting the aforementioned relaxation property directly to the underlying microscopic dynamics. The third contribution investigates chirality-induced spin selectivity (CISS) effects from the perspective of open quantum systems. Although the majority of theoretical studies aiming to model CISS are based on a coherent description of the spin dynamics, such effects have been observed also for electrons subject to incoherent transport across molecular networks. In this regard, we provide a rigorous ab initio derivation of the microscopic Hamiltonian describing the electronic transport, incorporating electron spin effects and contributions stemming from the nuclear vibrations. Within this result, we critically revise a master equation approach aiming to explain the origin of CISS effects observed in photosynthetic complexes. Taken together, these contributions offer fresh insights and original results on the interplay between driving fields and dissipation, relaxation phenomena, and electronic spin transport in the presence of incoherent dynamics. More broadly, these results provide new theoretical tools with several potential applications in quantum technologies, from modeling of control pulses in noisy environments to quantum reservoir engineering, and contribute to a deeper understanding of the role of quantum effects in biological systems.