For a closed bi-partite quantum system partitioned into system proper and environment we interprete the microcanonical and the canonical condition as constraints for the interaction between those two subsystems. In both cases the possible pure-state trajectories are confined to certain regions in Hilbert space. We show that in a properly defined thermodynamical limit almost all states within those accessible regions represent states of some maximum local entropy. For the microcanonical condition this dominant state still depends on the initial state; for the canonical condition it coincides with that defined by Jaynes' principle. It is these states which thermodynamical systems should generically evolve into.
For a closed bi-partite quantum system partitioned into system proper and environment we interprete the microcanonical and the canonical condition as constraints for the interaction between those two subsystems. In both cases the possible pure-state trajectories are confined to certain regions in Hilbert space. We show that in a properly defined thermodynamical limit almost all states within those accessible regions represent states of some maximum local entropy. For the microcanonical condition this dominant state still depends on the initial state; for the canonical condition it coincides with that defined by Jaynes' principle. It is these states which thermodynamical systems should generically evolve into.
We reinterpret the microcanonical conditions in the quantum domain as constraints for the interaction of the "gas subsystem" under consideration and its environment ("container"). The time average of a purity measure is found to equal the average over the respective path in Hilbert space. We then show that for typical (degenerate or nondegenerate) thermodynamical systems almost all states within the allowed region of Hilbert space have a local von Neumann entropy S close to the maximum and a purity P close to its minimum, respectively. Typically, thermodynamical systems should obey the second law.
Understanding how macroscopic thermodynamic behavior emerges from microscopic quantum dynamics remains an open problem. While equilibration of quantum observables is well established, thermodynamics also relies on variables not directly associated with linear operators, but which are defined instead as functions of expectation values. Whether and how such derived quantities inherit equilibration properties is an open question. Here, we establish that any continuously differentiable function of equilibrating expectation values also equilibrates. We apply this result to a bipartite isolated system, showing that the entropy and conjugate variables of each subsystem -- defined through Jaynes' maximum entropy principle -- equilibrate. Moreover, with the assumption that their equilibrium properties depend solely on local conserved quantities, we show the dynamical maximization of the total entropy, enforcing equality of conjugate variables across subsystems. These results provide a direct dynamical justification for entropy maximization and the emergence of thermodynamic equilibrium conditions, showing that fundamental principles of thermodynamics follow from the unitary evolution of quantum systems.
We report universal statistical properties displayed by ensembles of pure states that naturally emerge in quantum many-body systems. Specifically, two classes of state ensembles are considered: those formed by (i) the temporal trajectory of a quantum state under unitary evolution or (ii) the quantum states of small subsystems obtained by partial, local projective measurements performed on their complements. These cases, respectively, exemplify the phenomena of “Hilbert-space ergodicity” and “deep thermalization.” In both cases, the resultant ensembles are defined by a simple principle: The distributions of pure states have maximum entropy, subject to constraints such as energy conservation, and effective constraints imposed by thermalization. We present and numerically verify quantifiable signatures of this principle by deriving explicit formulas for all statistical moments of the ensembles, proving the necessary and sufficient conditions for such universality under widely accepted assumptions, and describing their measurable consequences in experiments. We further discuss information-theoretic implications of the universality: Our ensembles have maximal information content while being maximally difficult to interrogate, establishing that generic quantum state ensembles that occur in nature hide (scramble) information as strongly as possible. Our results generalize the notions of Hilbert-space ergodicity to time-independent Hamiltonian dynamics and deep thermalization from infinite to finite effective temperature. Our work presents new perspectives to characterize and understand universal behaviors of quantum dynamics using statistical and information-theoretic tools. Published by the American Physical Society 2024
Descriptions of molecular systems usually refer to two distinct theoretical frameworks. On the one hand the quantum pure state, i.e., the wavefunction, of an isolated system is determined to calculate molecular properties and their time evolution according to the unitary Schrödinger equation. On the other hand a mixed state, i.e., a statistical density matrix, is the standard formalism to account for thermal equilibrium, as postulated in the microcanonical quantum statistics. In the present paper an alternative treatment relying on a statistical analysis of the possible wavefunctions of an isolated system is presented. In analogy with the classical ergodic theory, the time evolution of the wavefunction determines the probability distribution in the phase space pertaining to an isolated system. However, this alone cannot account for a well defined thermodynamical description of the system in the macroscopic limit, unless a suitable probability distribution for the quantum constants of motion is introduced. We present a workable formalism assuring the emergence of typical values of thermodynamic functions, such as the internal energy and the entropy, in the large size limit of the system. This allows the identification of macroscopic properties independently of the specific realization of the quantum state. A description of material systems in agreement with equilibrium thermodynamics is then derived without constraints on the physical constituents and interactions of the system. Furthermore, the canonical statistics is recovered in all generality for the reduced density matrix of a subsystem.
A system composed of identical spins and described by a quantum mechanical pure state is analyzed within the statistical framework presented in Part I of this work. We explicitly derive the typical values of the entropy, of the energy, and of the equilibrium reduced density matrix of a subsystem for the two different statistics introduced in Part I. In order to analyze their consistency with thermodynamics, these quantities of interest are evaluated in the limit of large number of components of the isolated system. The main results can be summarized as follows: typical values of the entropy and of the equilibrium reduced density matrix as functions of the internal energy in the fixed expectation energy ensemble do not satisfy the requirement of thermodynamics. On the contrary, the thermodynamical description is recovered from the random pure state ensemble (RPSE), provided that one considers systems large enough. The thermodynamic limit of the considered properties for the spin system reveals a number of important features. First canonical statistics (and thus, canonical typicality as long as the fluctuations around the average value are small) emerges without the need of assuming the microcanonical space for the global pure state. Moreover, we rigorously prove (i) the equivalence of the "global temperature," derived from the entropy equation of state, with the "local temperature" determining the canonical state of the subsystems; and (ii) the equivalence between the RPSE typical entropy and the canonical entropy for the overall system.
We consider a closed macroscopic quantum system in a pure state ψ evolving unitarily with Hamiltonian H in a finite-dimensional Hilbert space H. Following von Neumann, we assume a decomposition of H into mutually orthogonal subspaces Hν, where each ν represents a macro state, and Hν contains the pure states compatible with ν. We define the quantum Boltzmann entropy for a macro state ν as SqB(ν)=kBlogdimHν, where kB is the Boltzmann constant. Goldstein et al. [http://arxiv.org/abs/1903.11870] have suggested, as a version of the second law of thermodynamics, that SqB predominantly increases with time for realistic macroscopic systems. Here, we discuss precise versions of this statement and confirm them for several simple models of H and Hν.