The equilibrium states for an infinite system of quantum mechanics may be represented by states over suitably chosen C* algebras. We consider the problem of associating an entropy with these states and finding its properties, such as positivity, subadditivity, etc. For the states of a quantum-spin system, a mean entropy is defined and it is shown that this entropy is affine and upper semicontinuous.
The equilibrium states for an infinite system of quantum mechanics may be represented by states over suitably chosen C* algebras. We consider the problem of associating an entropy with these states and finding its properties, such as positivity, subadditivity, etc. For the states of a quantum-spin system, a mean entropy is defined and it is shown that this entropy is affine and upper semicontinuous.
Given the algebra of observables of a quantum system subject to selection rules, a state can be represented by different density matrices. As a result, different von Neumann entropies can be associated with the same state. Motivated by a minimality property of the von Neumann entropy of a density matrix with respect to its possible decompositions into pure states, we give a purely algebraic definition of entropy for states of an algebra of observables, thus solving the above ambiguity. The entropy so-defined satisfies all the desirable thermodynamic properties and reduces to the von Neumann entropy in the quantum mechanical case. Moreover, it can be shown to be equal to the von Neumann entropy of the unique representative density matrix belonging to the operator algebra of a multiplicity-free Hilbert-space representation.
This chapter begins with the discussion of various meanings of the entropy: Boltzmann entropy, Shannon entropy, von Neumann entropy. It then presents the basic properties of the von Neumann entropy such as concavity, sub-additivity, strong sub-additivity, and continuity. It proves the existence of mean entropy for shift-invariant states on quantum spin chains, and then derives the expression for the mean entropy for quasi-free Fermions on a chain. The chapter defines the quantum relative entropy and presents its basic properties, including behaviour with respect to completely positive maps. The maximum entropy principle defines thermal equilibrium states (Gibbs states). This variational principle is illustrated by the Hartree–Fock approximation for a model of interacting Fermions. The entropy of an equilibrium state for a free quantum particle on a compact Riemannian manifold is also estimated. Finally, the notion of relative entropy is formulated in the algebraic setting using the relative modular operator.
I. Introduction.Statistical mechanics is the science of explaining, predicting and understanding the gross, macroscopic attributes of matter (which may be taken to mean mechanical systems with essentially an infinite number of degrees of freedom) in terms of the elementary dynamical laws governing its atomic constituents.The problems that arise are sufficiently complex and intriguing, but at the same time sufficiently well posed, that the subject is nowadays as much a part of mathematics as of physics.The fields of information theory and ergodic theory had their genesis in statistical mechanical modes of thought and are now well established in the mathematics literature; there will be more to come.Ludwig Boltzmann, who died in 1906, was one of the principal founders of statistical mechanics, and his monument in Vienna contains the following eloquent testimonial to his scientific creativity:(1) S = k log W.Surely, this hypothesis of Boltzmann [1] is one of the most important and daring in statistical mechanics, for it relates S, the macroscopic entropy of a system, to W, the number of microscopic states of the system which have the same, given macroscopic properties.The number k is a universal constant, called Boltzmann's constant, and, for our purposes, we can consider it to be 1.In these lectures we shall explore some of the abstract properties of entropy, after first giving a precise formulation of it, and will include some recent results (with M. B. Ruskai) which extend formerly known facts about the strong subadditivity of entropy from the domain of classical mechanics to the quantum-mechanical domain.The presentation here will be sketchy and the reader is referred to the original papers [3], [4], [5] for more details.An expanded version of an invited address delivered before the M.I.T.
Statistical formulations of thermodynamic entropy, such as those by Boltzmann and Gibbs, were originally developed for classical systems and are well understood in that context. However, the foundational aspects of quantum statistical mechanics remain an area of active debate and are yet to be fully understood. This work is motivated by the need to develop a comprehensive understanding of the statistical measures of thermodynamic entropy in quantum systems - a topic intimately connected to the phenomenon of quantum thermalization. In particular, we investigate the conditions under which the von Neumann entropy can be regarded as a valid statistical measure of thermodynamic entropy in quantum systems. This paper demonstrates that the equivalence between the von Neumann and thermodynamic entropies is not universal, but instead depends on several subtle and often overlooked assumptions. In this context, we also briefly revisit key criticisms of von Neumann entropy - particularly its time-invariance and subadditivity - and argue that these concerns can be meaningfully addressed in the setting of thermodynamic systems. To substantiate some arguments and to clarify some issues, we provide suitable numerical results from our analysis of a spin-1/2 system.
We discuss the question of the dynamical meaning of the second law of thermodynamics in the framework of quantum mechanics. Previous discussion of the problem in the framework of classical dynamics has shown that the second law can be given a dynamical meaning in terms of the existence of so-called Lyapounov variables-i.e., dynamical variables varying monotonically in time without becoming contradictory. It has been found that such variables can exist in an extended framework of classical dynamics, provided that the dynamical motion is suitably unstable. In this paper we begin to extend these results to quantum mechanics. It is found that no dynamical variable with the characteristic properties of nonequilibrium entropy can be defined in the standard formulation of quantum mechanics. However, if the Hamiltonian has certain well-defined spectral properties, such variables can be defined but only as a nonfactorizable superoperator. Necessary nonfactorizability of such entropy operators M has the consequence that they cannot preserve the class of pure states. Physically, this means that the distinguishability between pure states and corresponding mixtures must be lost in the case of a quantal system for which the algebra of observables can be extended to include a new dynamical variable representing nonequilibrium entropy. We discuss how this result leads to a solution of the quantum measurement problem. It is also found that the question of existence of entropy of superoperators M is closely linked to the problem of defining an operator of time in quantum mechanics.
Recently, the possibility of investigating single molecule, or single spin observables, as well as the necessity of a better understanding of the mechanisms underlying quantum dynamics in order to obtain nanoscale devices and nanostructered materials suitable for quantum computing tasks, have revived the interest in foundational aspects of quantum statistical mechanics. This thesis aims to give a contribution to this field by re-considering the statistical characterization of a quantum system at the light of some paradigmatic changes in our understanding of quantum theory which have taken place in the last two decades. In particular the impressive development of quantum information theory has changed the perceptions of quantum entanglement: for a long time it has been considered a somewhat paradoxical property of the matter at the atomic scale, but now it is regarded as an essential and ubiquitous phenomenon whose consequences are affecting the very macroscopic world that we experience. Still the decoherence program has brought out the importance of considering a quantum system together with its environment in order to clarify some key aspects of quantum dynamics. Thus, we start from the idea that quantum correlations are ubiquitous and somewhat uncontrollable in systems with many degrees of freedom which are typically considered in statistical mechanics. As a consequence we assume the standpoint that quantum statistical mechanics has not to be based on the underlying idea of a collection of many, independent quantum systems but rather it has to emerge at the level of a global wavefunction (pure state) which describes the system as well as its environment as a whole. In order to investigate the consequences of these assumptions we study the equilibrium distribution of an isolated quantum system. This is defined, in analogy with the ergodic foundations of classical statistical mechanics, on the basis of the time evolution of the quantum state. Then, we study the emergence of thermodynamic properties in a quantum system by studying the probability distribution of some function of interests, as the entropy and the equilibrium state of a subsystem, on Ensembles of Pure States. Such a probability distribution is derived from the geometry of the Hilbert space, and the theoretical tools suitable for its characterization are developed. On the one hand we perform a numerical sampling of the ensemble distributions by employing Monte Carlo techniques, on the other hand simpler analytical approximation of the geometrical distributions are derived by means of a maximum entropy principle. Model systems composed of an ensemble of spins are chosen to illustrate the salient features which emerge from the developed theoretical framework: the main point is that the Ensemble Distributions of “thermodynamic observables” (entropy or equilibrium state of a subsystem) are sharply peaked around a typical value. From the analysis it emerges that each of the overwhelming majority of the wavefunctions which has appreciable weight in the considered ensemble, is characterized by the same value of the “macroscopic” functions. This is a striking evidence of the “typicality” of these properties. In the essence, our impossibility to know the state of the system in detail does not matter, just for the remarkable fact that almost all quantum states behave essentially in the same way. By virtue of this typicality the study of the behaviour of the typical values of the thermodynamic function become meaningful. Notably, under certain conditions, one recovers the results of standard statistical mechanics, that is, the equilibrium average of the state of a subsystem can be cast in the Boltzmann canonical form at the temperature given by the usual thermodynamical relation . In the second part of the thesis we consider the dynamical aspects of the equilibrium state of a subsystem interacting with its environment. The fluctuations around the equilibrium average critically depends on the entanglement between the system and the environment and on the form of the interaction Hamiltonian. The connection between the dynamics of the fluctuations of an observable at the equilibrium and the relaxation toward the equilibrium from a “non typical” initial value is also investigated with the aid of simple model systems. The study presented in this thesis was partly motivated by a critical analysis of the statistical methods available for the theoretical modelling of magnetic resonance experiments. One of these, the Stochastic Liouville Equation, has been employed in a work completed during the first year of my Ph.D. program in order to interpret some feature of a two dimensional electron spin resonance experiment, [Fresch B., Frezzato D., Moro G. J., Kothe G., Freed J. H.; J. Phys. Chem. B., 110, 24238, (2006)].