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We derive a variational cluster approximation for Heisenberg spin systems at finite temperature based on the ideas of the self-energy functional theory by Potthoff for fermionic and bosonic systems with local interactions. Partitioning the…

Strongly Correlated Electrons · Physics 2015-06-19 Stephan Filor , Thomas Pruschke

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…

Statistical Mechanics · Physics 2026-03-24 Jacob T. Willson , Henrik J. Heelweg , Adam P. Willard

In this paper, we introduce a dynamical Monte Carlo algorithm for spin models in which the number of the spins fluctuates from zero to a given number by addition and deletion of spins with a probabilistic rule. Such simulations are realized…

Statistical Mechanics · Physics 2009-10-31 Yukito Iba

Markov chain Monte Carlo methods are primarily used for sampling from a given probability distribution and estimating multi-dimensional integrals based on the information contained in the generated samples. Whenever it is possible, more…

Statistical Mechanics · Physics 2017-05-22 Manuel Athènes , Pierre Terrier

I present a theoretical model of a quantum statistical ensemble for which, unlike in conventional physics, the total number of particles is extremely small. The thermodynamical quantities are calculated by taking a small $N$ by virtue of…

Quantum Physics · Physics 2010-01-15 Enrico Prati

We present a method to compute the magnetic susceptibility of spin systems at all temperatures in one and two dimensions. It relies on an approximation of the entropy versus energy (microcanonical potential function) on the whole range of…

Strongly Correlated Electrons · Physics 2015-06-22 B. Bernu , C. Lhuillier

In this work, the zero-temperature limit of the thermodynamic spin-density functional theory is investigated. The coarse-grained approach to the equilibrium density operator is used to describe the equilibrium state. The characteristic…

Chemical Physics · Physics 2013-10-28 Robert Balawender

We consider a generic classical many particle system described by an autonomous Hamiltonian $H(x^{_1},...,x^{_{N+2}})$ which, in addition, has a conserved quantity $V(x^{_1},...,x^{_{N+2}})=v$, so that the Poisson bracket $\{H,V \}$…

Statistical Mechanics · Physics 2015-05-18 Roberto Franzosi

It is known that temperature estimates of macroscopic systems in equilibrium are most precise when their energy fluctuations are large. However, for nanoscale systems deviations from standard thermodynamics arise due to their interactions…

Quantum Physics · Physics 2018-06-14 Harry J. D. Miller , Janet Anders

Boltzmann sampling based on Metropolis algorithm has been extensively used for simulating a canonical ensemble. An estimate of a mechanical property, like energy, of an equilibrium system, can be made by averaging over a large number…

Statistical Mechanics · Physics 2017-10-04 K P N Murthy

Simulations are performed of a small quantum system interacting with a quantum environment. The system consists of various initial states of two harmonic oscillators coupled to give normal modes. The environment is "designed" by its level…

Statistical Mechanics · Physics 2015-06-15 George L. Barnes , Michael E. Kellman

We show a unified second-order scheme for constructing simple, robust and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When Langevin dynamics is used, the scheme leads to the BAOAB…

Chemical Physics · Physics 2017-10-17 Zhijun Zhang , Xinzijian Liu , Zifei Chen , Haifeng Zheng , Kangyu Yan , Jian Liu

We study the ensemble of states generated by performing projective measurements on the output of a random matchgate (or free-fermionic) quantum circuit. We rigorously show that this `projected ensemble' exhibits deep thermalization: For…

Quantum Physics · Physics 2025-07-15 Mircea Bejan , Benjamin Béri , Max McGinley

We prove that an effective temperature naturally emerges from the algorithmic structure of a regular universal Turing machine (UTM), without introducing any external physical parameter. In particular, the redundancy growth of the machine's…

Statistical Mechanics · Physics 2025-10-17 Kentaro Imafuku

We have developed a new method for evaluating the specific heat of lattice spin systems. It is based on the knowledge of high-temperature series expansions, the total entropy of the system and the low-temperature expected behavior of the…

Strongly Correlated Electrons · Physics 2009-10-31 B. Bernu , G. Misguich

This paper presents two algorithms for calculating an ensemble of solutions to laminar natural convection problems. The ensemble average is the most likely temperature distribution and its variance gives an estimate of prediction…

Numerical Analysis · Mathematics 2017-08-03 Joseph A. Fiordilino , Sarah Khankan

The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…

Statistical Mechanics · Physics 2013-05-29 Andrew J. Ferris , David Poulin

By numerically exact calculations of spin-1/2 antiferromagnetic Heisenberg models on small clusters, we demonstrate that quantum entanglement between subsystems $A$ and $B$ in a pure ground state of a whole system $A+B$ can induce thermal…

Quantum Physics · Physics 2020-10-20 Kazuhiro Seki , Seiji Yunoki

A variety of generative neural networks recently adopted from machine learning have provided promising strategies for studying quantum matter. In particular, the success of autoregressive models in natural language processing has motivated…

Quantum Physics · Physics 2025-08-20 Tarun Advaith Kumar , Leon Balents , Timothy H. Hsieh , Roger G. Melko

The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the…

chem-ph · Physics 2009-10-22 Reinhold Egger , C. H. Mak