The long term behavior of non-integrable quantum systems is investigated to find a classical counterpart that describes the statistical properties of dynamical fluctuation of quantum observables. On the basis of the quantum-classical correspondence in the integrable system, we introduce the ensemble of classical trajectories (ECT) , which is defined as a set of weighted classical trajectories whose mean density in phase space is one per Planck cell. In the non-integrable system, due to the rapid breakdown of quantum-classical correspondence of the wavepacket dynamics, the ECT is unable to yield the correct temporal behavior of quantum observables. However, numerical experiments reveal that it gives a good approximation of various statistical properties of the quantum dynamical fluctuation. This result strongly suggests that, as far as the statistical properties are concerned, the dominant part of the quantum dynamical fluctuation is determined by classical dynamics, i.e. a set of classical trajectories. The meaning and interpretation of the ECT in relation to the coherent subsystem is also discussed.
The long term behavior of non-integrable quantum systems is investigated to find a classical counterpart that describes the statistical properties of dynamical fluctuation of quantum observables. On the basis of the quantum-classical correspondence in the integrable system, we introduce the ensemble of classical trajectories (ECT) , which is defined as a set of weighted classical trajectories whose mean density in phase space is one per Planck cell. In the non-integrable system, due to the rapid breakdown of quantum-classical correspondence of the wavepacket dynamics, the ECT is unable to yield the correct temporal behavior of quantum observables. However, numerical experiments reveal that it gives a good approximation of various statistical properties of the quantum dynamical fluctuation. This result strongly suggests that, as far as the statistical properties are concerned, the dominant part of the quantum dynamical fluctuation is determined by classical dynamics, i.e. a set of classical trajectories. The meaning and interpretation of the ECT in relation to the coherent subsystem is also discussed.
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)].
At nonzero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for example, is characterized by the ensemble of system trajectories in phase space and, by including the probabilities for various trajectories to occur, a work distribution can be constructed. However, without phase-space trajectories, the task of constructing a work probability distribution in the quantum regime has proven elusive. Here we use quantum trajectories in phase space and define fluctuating work as power integrated along the trajectories, in complete analogy to classical statistical physics. The resulting work probability distribution is valid for any quantum evolution, including cases with coherences in the energy basis. We demonstrate the quantum work probability distribution and its properties with an exactly solvable example of a driven quantum harmonic oscillator. An important feature of the work distribution is its dependence on the initial statistical mixture of pure states, which is reflected in higher moments of the work. The proposed approach introduces a fundamentally different perspective on quantum thermodynamics, allowing full thermodynamic characterization of the dynamics of quantum systems, including the measurement process.
At non-zero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for example, is characterised by the ensemble of system trajectories in phase space and, by including the probabilities for various trajectories to occur, a work distribution can be constructed. However, without phase space trajectories, the task of constructing a work probability distribution in the quantum regime has proven elusive. Here we use quantum trajectories in phase space and define fluctuating work as power integrated along the trajectories, in complete analogy to classical statistical physics. The resulting work probability distribution is valid for any quantum evolution, including cases with coherences in the energy basis. We demonstrate the quantum work probability distribution and its properties with an exactly solvable example of a driven quantum harmonic oscillator. An important feature of the work distribution is its dependence on the initial statistical mixture of pure states, which is reflected in higher moments of the work. The proposed approach introduces a fundamentally different perspective on quantum thermodynamics, allowing full thermodynamic characterisation of the dynamics of quantum systems, including the measurement process.
It is generally believed that the classical regime emerges as a limiting case of quantum theory. Exploring such quantum-classical correspondences provides a deeper understanding of foundational aspects and has attracted a great deal of attention since the early days of quantum theory. It has been proposed that since a quantum mechanical wave function describes an intrinsic statistical behavior, its classical limit must correspond to a classical ensemble—not to an individual particle. This idea leads us to ask how the uncertainty product of canonical observables in the quantum realm compares with the corresponding dispersions in the classical realm. In this paper, we explore parallels between the uncertainty product of position and momentum in stationary states of quantum systems and the corresponding fluctuations of these observables in the associated classical ensemble. We confine ourselves to one-dimensional conservative systems and show, with the help of suitably defined dimensionless physical quantities, that first and second moments of the canonical observables match with each other in the classical and quantum descriptions—resulting in identical structures for the uncertainty relations in both realms.
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.
We demonstrate that if the dynamics of quantum systems are expressed in the state-space of den- sity operators, then they exhibit dynamical flow properties that are analogous to classical Hamilto- nian systems. We show that individual quantum states can be formulated equivalently as different distributions on this state-space and that ambiguity in this formulation can be leveraged to gain information about how various sources of uncertainty influence system dynamics. We derive explicit equations of motion for populations on this state-space for both closed and open quantum systems. We argue that trajectory ensembles expressed in this state-space can be analyzed and interpreted using the tools of classical statistical mechanics and along these lines we present a quantum gener- alization of transition path sampling. Finally, as an example, we explore trajectory ensembles of a model open quantum system.