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arXiv:0908.3698

Quantum and statistical mechanics in open systems: theory and examples

David Zueco

Published Aug 25, 2009• 3 citations
arXivHTMLPDF

Abstract

Using the system-bath model Hamiltonian this thesis covers the equilibrium and out of equilibrium properties of quantum open systems. Topics included are the calculation of thermodynamical quantities of open systems, derivation of quantum master equations, phase space and numerical methods and Linear and non Linear Response Theory. Applications are the transport in periodic potentials and the dynamics of spins.

DOI
10.48550/arxiv.0908.3698

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This thesis covers various aspects of open systems in classical and quantum mechanics. In the first part, we deal with classical systems. The bath-of-oscillators formalism is used to describe an open system, and the phenomenological Langevin equation is recovered. The Fokker-Planck equation is derived from its corresponding Langevin equation. The Fokker-Planck equation for a particle in a periodic potential in the high-friction limit is solved using the continued-fraction method. The equilibrium and time-dependent solutions are obtained. Under strong periodic driving, we observe significant non-linear effects in the dynamical hysteresis loops. Shapiro steps appear in the time-average of the drift velocity curves. Similar study is carried out for a dipole in an electric field. In the second part of the thesis, we begin the study of open quantum systems by re-deriving the quantum master equation using perturbation theory. The master equation is then applied to the bath-of-oscillators model. The subtleties and approximations of the master equation are discussed. We then use the master equation to solve the damped harmonic oscillator. The equilibrium solution coincides with the canonical distribution. The steady state response to DC and AC forces is also studied. Driven systems are more challenging in quantum open systems, and we manage to solve the quantum master equation with the continued-fraction method. We obtain the frequency-dependent susceptibility curves, which exhibit typical absorption and dispersion profiles.
Abstract Processes at the nanoscale happen far away from the thermodynamic limit, far from equilibrium and are dominated by fluctuations and, perhaps, even quantum effects. This book establishes a consistent thermodynamic framework for such processes by combining tools from non-equilibrium statistical mechanics and the theory of open quantum systems. The book is accessible for graduate students and of interest to all researchers striving for a deeper understanding of the laws of thermodynamics beyond their traditional realm of applicability. It puts most emphasis on the microscopic derivation and understanding of key principles and concepts as well as their interrelation. The topics covered in this book include (quantum) stochastic processes, (quantum) master equations, local detailed balance, classical stochastic thermodynamics, (quantum) fluctuation theorems, strong coupling and non non-Markovian effects, thermodynamic uncertainty relations, operational approaches, Maxwell's demon and time-reversal symmetry, among other topics. Furthermore, the book treats a few applications in detail to illustrate the general theory and its potential for practical applications. These are single-molecule pulling experiments, quantum transport and thermoelectric effects in quantum dots, the micromaser and related set-ups in quantum optics.
A comprehensive approach to modeling open quantum systems consistent with thermodynamics is presented. The theory of open quantum systems is employed to define system bath partitions. The Markovian master equation defines an isothermal partition between the system and bath. Two methods to derive the quantum master equation are described: the weak coupling limit and the repeated collision model. The role of the eigenoperators of the free system dynamics is highlighted, in particular, for driven systems. The thermodynamical relations are pointed out. Models that lead to loss of coherence, i.e., dephasing are described. The implication of the laws of thermodynamics to simulating transport and spectroscopy is described. The indications for self-averaging in large quantum systems and thus its importance in modeling are described. Basic modeling by the surrogate Hamiltonian is described, as well as thermal boundary conditions using the repeated collision model and their use in the stochastic surrogate Hamiltonian. The problem of modeling with explicitly time dependent driving is analyzed. Finally, the use of the stochastic surrogate Hamiltonian for modeling ultrafast spectroscopy and quantum control is reviewed.
We presents a unified and concise exposition of key topics in the mathematical theory of open quantum systems, developed within the framework of operator algebras. The manuscript consolidates and extends a series of invited articles originally prepared for the Modern Encyclopedia of Mathematical Physics, combining foundational material with modern perspectives on non-equilibrium quantum statistical mechanics. After introducing the C*- and W*-algebraic formulation of quantum mechanics, the paper reviews quantum dynamical systems, KMS states, and Tomita-Takesaki modular theory, as well as CCR and CAR algebras for bosonic and fermionic systems. Particular emphasis is placed on infinite systems, non-equilibrium steady states, entropy production, and linear response theory. The later sections develop a systematic treatment of small systems coupled to reservoirs, open lattice quantum spin systems, culminating in a detailed discussion of competing notions of quantum entropy production. The presentation highlights structural insights, conceptual clarity, and connections between equilibrium and non-equilibrium phenomena, providing a self-contained reference for researchers and graduate students in mathematical physics.
Many-body theory stands at the foundation of modern quantum statistical mechanics. It is introduced here to graduate students in physics, chemistry, engineering and biology. The book provides a contemporary understanding of irreversibility, particularly in quantum systems. It explains entropy production in quantum kinetic theory and in the master equation formulation of non-equilibrium statistical mechanics. The first half of the book focuses on the foundations of non-equilibrium statistical mechanics with emphasis on quantum mechanics. The second half of the book contains alternative views of quantum statistical mechanics, and topics of current interest for advanced graduate level study and research. Unique to textbooks on this subject, this book contains a discussion of the fundamental Gleason theorem. Quantum entanglements are treated in application to quantum computation and the difficulties arising from decoherence. The relativistic generalization of the Boltzmann equation is derived, and modern transport applications to reservoir ballistic transport are developed.