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Physical review. E

Maximum entropy distributions of wave functions at thermal equilibrium

Jacob T. Willson, Henrik J. Heelweg, Adam P. Willard

Published Jun 10, 2026• 0 citations
Publisher

Abstract

Statistical mechanics reveals that the properties of a macroscopic physical system emerge as an average over an ensemble of statistically independent microscopic subsystems, each occupying a specific microstate. In the study of quantum systems, these microstates can be chosen to correspond to the pure state wave functions of individual quantum systems. However, the physical principles that govern the distribution of a pure state wave function ensemble, even under conditions of thermal equilibrium, are not well established. For instance, the canonical Boltzmann distribution cannot be applied to wave functions because they lack a definite energy. In this paper we present a maximum entropy principle for the quantum wave function ensemble at thermal equilibrium, the so-called Scrooge ensemble. We highlight that a constraint on the energy expectation value, or even the shape of the associated eigenstate distribution, fails to yield a valid equilibrium state. We find that in addition to these constraints, one must also constrain the measurement entropy to be equal to the Rényi divergence of the ensemble with respect to the Gibbs state, indicating that the Rényi divergence may have uninvestigated physical importance to thermal equilibrium in quantum systems.

DOI
10.1103/yk5x-cnzv

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Statistical mechanics reveals that the properties of a macroscopic physical system emerge as an average over an ensemble of statistically independent microscopic subsystems, each occupying a specific microstate. In the study of quantum systems, these microstates can be chosen to correspond to the pure state wave functions of individual quantum systems. However, the physical principles that govern the distribution of a pure state wave function ensemble, even under conditions of thermal equilibrium, are not well established. For instance, the canonical Boltzmann distribution cannot be applied to wave functions because they lack a definite energy. In this paper we present a maximum entropy principle for the quantum wave function ensemble at thermal equilibrium, the so-called Scrooge ensemble. We highlight that a constraint on the energy expectation value, or even the shape of the associated eigenstate distribution, fails to yield a valid equilibrium state. We find that in addition to these constraints, one must also constrain the measurement entropy to be equal to the Rényi divergence of the ensemble with respect to the Gibbs state, indicating that the Rényi divergence may have uninvestigated physical importance to thermal equilibrium in quantum systems.
Statistical mechanics reveals that the properties of a macroscopic physical system emerge as an average over an ensemble of statistically independent microscopic subsystems, each occupying a specific microstate. In the study of quantum systems, these microstates can be chosen to correspond to the pure state wavefunctions of individual quantum systems. However, the physical principles that govern the distribution of a pure state wavefunction ensemble, even under conditions of thermal equilibrium, are not well established. For instance, the canonical Boltzmann distribution cannot be applied to wavefunctions because they lack a definite energy. In this manuscript, we present a maximum entropy principle for the quantum wavefunction ensemble at thermal equilibrium, the so-called Scrooge ensemble. We highlight that a constraint on the energy expectation value, or even the shape of the associated eigenstate distribution, fails to yield a valid equilibrium state. We find that in addition to these constraints, one must also constrain the measurement entropy to be equal to the Rényi divergence of the ensemble with respect to the Gibbs state, indicating that the Rényi divergence may have uninvestigated physical importance to thermal equilibrium in quantum systems.
Thermalization conventionally describes local properties of isolated many-body systems at equilibrium. Magic, or nonstabilizerness $\unicode{x2013}$ the resource enabling universal quantum computation $\unicode{x2013}$ is by contrast encoded in the global structure of the many-body wavefunction. We show that, despite its global nature, the magic of equilibrium pure states of chaotic many-body systems, including late-time evolved states and energy eigenstates, is universal: it is captured by the thermal Scrooge ensemble, the minimally informative ensemble of pure states consistent with the Gibbs state at the same effective temperature. Therefore, for systems with no conserved quantities other than the total energy, equilibrium magic is a function of temperature alone, independent of the initial state and other microscopic features of the equilibrium state. This yields concrete universal predictions for the stabilizer Rényi entropies (SREs). At infinite temperature, the SRE is set by Haar-like fluctuations of the Pauli spectrum, while at finite temperature energy conservation induces a volume-law thermodynamic correction controlled by the thermal Pauli spectrum. We support these predictions with analytical arguments and extensive numerical simulations. We further show that chaotic many-body systems at high temperatures possess long-range magic and entanglement that cannot be removed by finite-depth local quantum circuits. Our results establish magic as a thermodynamic property of chaotic many-body systems and suggest that Scrooge ensembles may provide a unified framework for quantum many-body resources.
The Gibbs entropy of a macroscopic classical system is a function of a probability distribution over phase space, i.e., of an ensemble. In contrast, the Boltzmann entropy is a function on phase space, and is thus defined for an individual system. Our aim is to discuss and compare these two notions of entropy, along with the associated ensemblist and individualist views of thermal equilibrium. Using the Gibbsian ensembles for the computation of the Gibbs entropy, the two notions yield the same (leading order) values for the entropy of a macroscopic system in thermal equilibrium. The two approaches do not, however, necessarily agree for non-equilibrium systems. For those, we argue that the Boltzmann entropy is the one that corresponds to thermodynamic entropy, in particular, in connection with the second law of thermodynamics. Moreover, we describe the quantum analog of the Boltzmann entropy, and we argue that the individualist (Boltzmannian) concept of equilibrium is supported by the recent works on thermalization of closed quantum systems.
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
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.