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In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

Materials Science · Physics 2020-04-15 Igor Ying Zhang , Andreas Grüneis

In recent years, a better understanding of the Monte Carlo method has provided us with many new techniques in different areas of statistical physics. Of particular interest are so called cluster methods, which exploit the considerable…

Statistical Mechanics · Physics 2007-05-23 Werner Krauth

The cluster variation - Pade` approximant method is a recently proposed tool, based on the extrapolation of low/high temperature results obtained with the cluster variation method, for the determination of critical parameters in Ising-like…

Statistical Mechanics · Physics 2009-10-31 Alessandro Pelizzola

The large amounts of data from molecular biology and neuroscience have lead to a renewed interest in the inverse Ising problem: how to reconstruct parameters of the Ising model (couplings between spins and external fields) from a number of…

Disordered Systems and Neural Networks · Physics 2012-08-13 H. Chau Nguyen , Johannes Berg

We study the phase diagram of a class of models in which a generalized cluster interaction can be quenched by Ising exchange interaction and external magnetic field. We characterize the various phases through winding numbers. They may be…

Statistical Mechanics · Physics 2017-09-06 Wei Nie , Feng Mei , Luigi Amico , Leong Chuan Kwek

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of…

Strongly Correlated Electrons · Physics 2015-03-17 Anders W. Sandvik

We present a new approach to clustering, based on the physical properties of an inhomogeneous ferromagnet. No assumption is made regarding the underlying distribution of the data. We assign a Potts spin to each data point and introduce an…

Disordered Systems and Neural Networks · Physics 2008-02-03 Marcelo Blatt , Shai Wiseman , Eytan Domany

We analyze in some detail a recently proposed transfer matrix mean field approximation which yields the exact critical point for several two dimensional nearest neighbor Ising models. For the square lattice model we show explicitly that…

Condensed Matter · Physics 2009-10-22 A. Pelizzola , A. Stella

A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…

Chemical Physics · Physics 2013-07-15 Daniel Kats , Frederick R. Manby

For theoretical description of pseudospin systems with essential short-range and long-range interactions we use the method based on calculations of the free energy functional with taking into account the short-range interactions within the…

Statistical Mechanics · Physics 2019-05-21 R. R. Levitskii , S. I. Sorokov , O. R. Baran

The distinguishable cluster approximation applied to coupled cluster doubles equations greatly improves absolute and relative energies. We apply the same approximation to the triples equations and demonstrate that it can also improve…

Chemical Physics · Physics 2019-05-01 Daniel Kats , Andreas Köhn

In this paper, we present a cluster algorithm for the numerical simulations of non-additive hard-core mixtures. This algorithm allows one to simulate and equilibrate systems with a number of particles two orders of magnitude larger than…

Soft Condensed Matter · Physics 2009-11-10 Arnaud Buhot

It is shown that a spin system is equivalent to a set of constrained harmonic oscillators. For finite, but large, systems, a continuous approximation to the density of states can be used, and the oscillator frequencies can be exactly…

Materials Science · Physics 2023-05-19 Gabriel Gil , Augusto Gonzalez

Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…

Strongly Correlated Electrons · Physics 2007-05-23 Tran Minh-Tien

We examine a model in which a nonequilibrium phase transition from an active to an extinct state is observed. The order of this phase transition has been shown to be either continuous or first-order, depending on the parameter values and…

Statistical Mechanics · Physics 2009-11-13 Alastair Windus , Henrik Jeldtoft Jensen

We demonstrate that a series of procedures for increasing the efficiency of transition matrix calculations can be realized by integrating the standard single-spin flip transition matrix method with global cluster flipping techniques. Our…

Statistical Mechanics · Physics 2019-03-19 David Yevick , Yong Hwan Lee

We consider a system of spherical particles interacting by means of a pair potential equal to a finite constant for interparticle distances smaller than the sphere diameter and zero outside. The model may be a prototype for the interaction…

Statistical Mechanics · Physics 2009-10-31 C. N. Likos , M. Watzlawek , H. Loewen

We introduce a new variational approach to the stationary state of kinetic Ising-like models. The approach is based on the cluster expansion of the entropy term appearing in a functional which is minimized by the system history. We rederive…

Statistical Mechanics · Physics 2013-07-26 Alessandro Pelizzola

We present a novel method for the accurate numerical determination of the phase behavior of fluid mixtures having large particle size asymmetries. By incorporating the recently developed geometric cluster algorithm within a restricted Gibbs…

Soft Condensed Matter · Physics 2007-05-23 Jiwen Liu , Nigel B. Wilding , Erik Luijten

A new approximating technique is developed so as to study the quantum ferromagnetic spin-1 Blume-Capel model in the presence of a transverse crystal field in the square lattice. Our proposal consists of approaching the spin system by…

Statistical Mechanics · Physics 2017-06-14 J. Roberto Viana , Octavio D. Rodriguez Salmon , Minos A. Neto , Diego C. Carvalho