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Physical Review Letters

Statistical Behavior in Deterministic Quantum Systems with Few Degrees of Freedom

Roderick V. Jensen, R. Shankar

Published Apr 29, 1985• 190 citations
Publisher

Abstract

Numerical studies of the dynamics of finite quantum spin chains are presented which show that quantum systems with few degrees of freedom ($N=7$) can be described by equilibrium statistical mechanics. The success of the statistical description is seen to depend on the interplay between the initial state, the observable, and the Hamiltonian. This work clarifies the impact of integrability and conservation laws on statistical behavior. The relation to quantum chaos is also discussed.

DOI
10.1103/physrevlett.54.1879

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Numerical studies of the dynamics of finite quantum spin chains are presented which show that quantum systems with few degrees of freedom (N=7N=7N=7) can be described by equilibrium statistical mechanics. The success of the statistical description is seen to depend on the interplay between the initial state, the observable, and the Hamiltonian. This work clarifies the impact of integrability and conservation laws on statistical behavior. The relation to quantum chaos is also discussed.
A novel concept for quantum chaos in spin systems is proposed which differs distinctively from concepts currently in use. It is argued (a) that the definition of quantum chaos cannot be based on the correspondence principle and (b) that quantum chaos is not equivalent to statistical behavior. Quantum chaos in spin systems implies the existence of a new type of spectrum consisting of excitations which do not form regular patterns with a multiparameter continuum structure in the thermodynamic limit, thus removing the constraint imposed by van Hove singularities that time-dependent correlation functions for pure quantum states cannot decay more rapidly than as powers of t. The irregular spectrum is caused by strong level repulsion resulting from the lack of a sufficient number of conservation laws in nonintegrable quantum many-body systems. The similarities and differences between quantum and classical chaos and, more generally, between quantum (non)integrability and classical (non)integrability are discussed in detail.
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)].
Predicting the stationary behavior of observables in isolated many-body quantum systems is a central challenge in quantum statistical mechanics. While one can often use the Gibbs ensemble, which is simple to compute, there are many scenarios where this is not possible and one must instead use another ensemble, such as the diagonal, microcanonical or generalized Gibbs ensembles. However, these all require detailed information about the energy or other conserved quantities to be constructed. Here we propose a general and computationally easy approach to determine the stationary probability distribution of observables with few outcomes. Interpreting coarse measurements at equilibrium as noisy communication channels, we provide general analytical arguments in favor of the applicability of a maximum entropy principle for this class of observables. We show that the resulting theory accurately predicts stationary probability distributions without detailed microscopic information like the energy eigenstates. Extensive numerical experiments on 7 non-weakly interacting spin-1/2 Hamiltonians demonstrate the broad applicability and robustness of this framework in both quantum integrable and chaotic models.
Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schrodinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.
Understanding the emergence of chaos in many-body quantum systems away from semi-classical limits, particularly in spatially local interacting spin Hamiltonians, has been a long-standing problem. In these intrinsically quantum regimes, quantum chaos has been primarily understood through the correspondence between the eigensystem statistics of midspectrum eigenstates and the universal statistics described by random matrix theory (RMT). However, this correspondence no longer holds for finite-temperature eigenstates. Here we show that the statistical properties of finite-temperature eigenstates of quantum chaotic Hamiltonians can be accurately described by pure random states constrained by a local charge, with the average charge density of the constrained random state ensemble playing the same role as the average energy density of the eigenstates. By properly normalizing the energy density using a single Hamiltonian-dependent parameter that quantifies the typical energy per degree of freedom, we find excellent agreement between the entanglement entropy statistics of eigenstates and that of constrained random states. Interestingly, in small pockets of Hamiltonian parameter phase space which we previously identified as `maximally chaotic' [PRX 14, 031014 (2024)], we find excellent agreement not only at the level of the first moment, including O(1) corrections, but also at the level of statistical fluctuations. These results show that notions of maximal chaos -- in terms of how much randomness eigenstates contain -- can still be defined at finite temperature in physical Hamiltonian models away from semi-classical and large-NNN limits.