In this paper, we investigate and compare two well-developed definitions of entropy relevant for describing the dynamics of isolated quantum systems: bipartite entanglement entropy and observational entropy. In a model system of interacting particles in a one-dimensional lattice, we numerically solve for the full quantum behavior of the system. We characterize the fluctuations and find the maximal, minimal, and typical entropy of each type that the system can eventually attain through its evolution. While both entropies are low for some particular configurations and high for more generic ones, there are several fundamental differences in their behavior. Observational entropy behaves in accord with classical Boltzmann entropy (e.g., equilibrium is a condition of near-maximal entropy and uniformly distributed particles, and minimal entropy is a very compact configuration). Entanglement entropy is rather different: Minimal entropy ``empties out'' one partition while maximal entropy apportions the particles between the partitions, and neither is typical. Beyond these qualitative results, we characterize both entropies and their fluctuations in some detail as they depend on temperature, particle number, and box size.
In this paper, we investigate and compare two well-developed definitions of entropy relevant for describing the dynamics of isolated quantum systems: bipartite entanglement entropy and observational entropy. In a model system of interacting particles in a one-dimensional lattice, we numerically solve for the full quantum behavior of the system. We characterize the fluctuations and find the maximal, minimal, and typical entropy of each type that the system can eventually attain through its evolution. While both entropies are low for some particular configurations and high for more generic ones, there are several fundamental differences in their behavior. Observational entropy behaves in accord with classical Boltzmann entropy (e.g., equilibrium is a condition of near-maximal entropy and uniformly distributed particles, and minimal entropy is a very compact configuration). Entanglement entropy is rather different: Minimal entropy ``empties out'' one partition while maximal entropy apportions the particles between the partitions, and neither is typical. Beyond these qualitative results, we characterize both entropies and their fluctuations in some detail as they depend on temperature, particle number, and box size.
The notion of entropy has been at the core of thermodynamics and statistical physics since the 19th century, originally mentioned in the statement of the second law of thermodynamics as ``entropy is non-decreasing in an isolated system.'' In the context of both classical and quantum mechanics, there are cases where the second law is violated. In other words, entropy of the system may fluctuate downward. The question of how low or high the entropy of a quantum system can get is of interest in the context of small systems that can maintain quantum coherence for short times, and in the context of our universe, assuming it is an isolated quantum system. We explore the rare and extreme fluctuations of two well-developed notions of entropy that are relevant and interesting in isolated thermodynamic quantum systems, namely the observational and entanglement entropy. We find several fundamental differences in the behavior of the two when fluctuating to their extremes. We also provide an analytical proof of a tight upper bound on entanglement entropy for systems constrained to conservation laws.
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)].
In quantum statistical mechanics, it is of fundamental interest to understand how close the bipartite entanglement entropy of eigenstates of quantum chaotic Hamiltonians is to maximal. For random pure states in the Hilbert space, the average entanglement entropy is known to be nearly maximal, with a deviation that is, at most, a constant. Here we prove that, in a system that is away from half filling and divided in two equal halves, an upper bound for the average entanglement entropy of random pure states with a fixed particle number and normally distributed real coefficients exhibits a deviation from the maximal value that grows with the square root of the volume of the system. Exact numerical results for highly excited eigenstates of a particle number conserving quantum chaotic model indicate that the bound is saturated with increasing system size.
The entanglement entropy of subsystems of typical eigenstates of quantum many-body Hamiltonians has recently been conjectured to be a diagnostic of quantum chaos and integrability. In quantum chaotic systems it has been found to behave as in typical pure states, while in integrable systems it has been found to behave as in typical pure Gaussian states. In this tutorial, we provide a pedagogical introduction to known results about the entanglement entropy of subsystems of typical pure states and of typical pure Gaussian states. They both exhibit a leading term that scales with the volume of the subsystem, when smaller than one half of the volume of the system, but the prefactor of the volume law is fundamentally different. It is constant (and maximal) for typical pure states, and it depends on the ratio between the volume of the subsystem and of the entire system for typical pure Gaussian states. Since particle-number conservation plays an important role in many physical Hamiltonians, we discuss its effect on typical pure states and on typical pure Gaussian states. We prove that, while the behavior of the leading volume-law terms does not change qualitatively, the nature of the subleading terms can change. In particular, subleading corrections can appear that depend on the square root of the volume of the subsystem. We unveil the origin of those corrections. Finally, we discuss the connection between the entanglement entropy of typical pure states and analytical results obtained in the context of random matrix theory, as well as numerical results obtained for physical Hamiltonians.
We study the time evolution of eleven microscopic entropy definitions (of Boltzmann-surface, Gibbs-volume, canonical, coarse-grained-observational, entanglement and diagonal type) and three microscopic temperature definitions (based on Boltzmann, Gibbs or canonical entropy). This is done for the archetypal nonequilibrium setup of two systems exchanging energy, modeled here with random matrix theory, based on numerical integration of the Schrödinger equation. We consider three types of pure initial states (local energy eigenstates, decorrelated and entangled microcanonical states) and three classes of systems: (A) two normal systems, (B) a normal and a negative temperature system and (C) a normal and a negative heat capacity system. We find: (1) All types of initial states give rise to the same macroscopic dynamics. (2) Entanglement and diagonal entropy sensitively depend on the microstate, in contrast to all other entropies. (3) For class B and C, Gibbs-volume entropies can violate the second law and the associated temperature becomes meaningless. (4) For class C, Boltzmann-surface entropies can violate the second law and the associated temperature becomes meaningless. (5) Canonical entropy has a tendency to remain almost constant. (6) For a Haar random initial state, entanglement or diagonal entropy behave similar or identical to coarse-grained-observational entropy.
In a closed system, the total number of particles is fixed. We ask how much does this conservation law restricts the amount of entanglement that can be created. We derive a tight upper bound on the bipartite entanglement entropy in closed systems, and find what a maximally entangled state looks like in such a system. Finally, we illustrate numerically on an isolated system of one-dimensional fermionic gas, that the upper bound can be reached during its unitary evolution, when starting in a pure state that emulates a thermal state with high enough temperature. These results are in accordance with current experiments measuring R\'enyi-2 entanglement entropy, all of which employ a particle-conserving Hamiltonian, where our bound acts as a loose bound, and will become especially important for bounding the amount of entanglement that can be spontaneously created, once a direct measurement of entanglement entropy becomes feasible.