A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.
A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.
Statistical formulations of thermodynamic entropy, such as those by Boltzmann and Gibbs, were originally developed for classical systems and are well understood in that context. However, the foundational aspects of quantum statistical mechanics remain an area of active debate and are yet to be fully understood. This work is motivated by the need to develop a comprehensive understanding of the statistical measures of thermodynamic entropy in quantum systems - a topic intimately connected to the phenomenon of quantum thermalization. In particular, we investigate the conditions under which the von Neumann entropy can be regarded as a valid statistical measure of thermodynamic entropy in quantum systems. This paper demonstrates that the equivalence between the von Neumann and thermodynamic entropies is not universal, but instead depends on several subtle and often overlooked assumptions. In this context, we also briefly revisit key criticisms of von Neumann entropy - particularly its time-invariance and subadditivity - and argue that these concerns can be meaningfully addressed in the setting of thermodynamic systems. To substantiate some arguments and to clarify some issues, we provide suitable numerical results from our analysis of a spin-1/2 system.
We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.
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.
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.
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.
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.