Derivation and Improvements of the Quantum Canonical Ensemble from a Regularized Microcanonical Ensemble

We propose a variational quantum algorithm for estimating microcanonical expectation values in models obeying the eigenstate thermalization hypothesis. Using a relaxed criterion for convergence of the variational optimization loop, the algorithm generates weakly entangled superpositions of eigenstates at a given target energy density. An ensemble of these variational states is then used to estimate microcanonical averages of local operators, with an error whose dominant contr...

We propose a method to calculate finite-temperature properties of a quantum many-body system for a microcanonical ensemble by introducing a pure quantum state named here an energy-filtered random-phase state, which is also a potentially promising application of near-term quantum computers. In our formalism, a microcanonical ensemble is specified by two parameters, i.e., the energy of the system and its associated energy window. Accordingly, the density of states is expressed ...

We study, in general terms, the process by which a pure state can ``self-thermalize'' and {\em appear} to be described by a microcanonical density matrix. This requires a quantum mechanical version of the Gibbsian coarse graining that conceptually underlies classical statistical mechanics. We introduce some extra degrees of freedom that are necessary for this. Interaction between these degrees and the system can be understood as a process of resonant absorption and emission o...

For a quantum system, a density matrix rho that is not pure can arise, via averaging, from a distribution mu of its wave function, a normalized vector belonging to its Hilbert space H. While rho itself does not determine a unique mu, additional facts, such as that the system has come to thermal equilibrium, might. It is thus not unreasonable to ask, which mu, if any, corresponds to a given thermodynamic ensemble? To answer this question we construct, for any given density mat...

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 qu...

We propose a definition of microcanonical and canonical statistical ensembles based on the concept of density of states. This definition applies both to the classical and the quantum case. For the microcanonical case this allows for a definition of a temperature and its fluctuation, which might be useful in the theory of mesoscopic systems. In the quantum case the concept of density of states applies to one-particle Schroedinger operators, in particular to operators with a pe...

Fixing the number of particles $N$, the quantum canonical ensemble imposes a constraint on the occupation numbers of single-particle states. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary $N$ since, unlike the case of the grand-canonical ensemble, traces in the $N$-particle Hilbert space fail to factorize into simple traces over single-particle states. In this paper we int...

Currently there are two main approaches to describe how quantum statistical physics emerges from an isolated quantum many-body system in a pure state: Canonical Typicality (CT) and Eigenstate Thermalization Hypothesis (ETH). These two approaches has different but overlapping areas of validity, phenomenology and set of physical outcomes. In this paper we discuss the relation between CT and ETH and propose a formulation of ETH in terms of the reduced density matrix. We provide ...

We consider an alternative approach to the foundations of statistical mechanics, in which subjective randomness, ensemble-averaging or time-averaging are not required. Instead, the universe (i.e. the system together with a sufficiently large environment) is in a quantum pure state subject to a global constraint, and thermalisation results from entanglement between system and environment. We formulate and prove a "General Canonical Principle", which states that the system will...

We examine the fundamental aspects of statistical mechanics, dividing the problem into a discussion purely about probability, which we analyse from a Bayesian standpoint. We argue that the existence of a unique maximising probability distribution $\{p(j\vert K)\}$ for states labelled by $j$ given data $K$ implies that the corresponding maximal value of the information entropy $\sigma(\{(p_j\vert K)\}) = -\sum_j (p_j \vert K)\ln{(p_j\vert K)}$ depends explicitly on the data at...