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arXiv:cond-mat/0404055 · Reviews of Modern Physics

Quantum cluster theories

Thomas Maier, Mark Jarrell, Thomas Pruschke, Matthias H. Hettler

Published Oct 6, 2005• 1,307 citations
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Abstract

This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.

DOI
10.1103/revmodphys.77.1027

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Reviews of Modern Physics•Jan 1, 1996•6,900 citations
This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.
Abstract The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for their technologically promising properties remain mostly elusive. Computational approaches have played a major role in efforts to fill this void. In particular, dynamical mean field theory and its cluster extension, the dynamical cluster approximation have allowed significant progress. However, despite all the insightful results of these embedding schemes, computational constraints, such as the minus sign problem in quantum Monte Carlo (QMC), and the exponential growth of the Hilbert space in exact diagonalization (ED) methods, still limit the length scale within which correlations can be treated exactly in the formalism. A recent advance aiming to overcome these difficulties is the development of multiscale many body approaches whereby this challenge is addressed by introducing an intermediate length scale between the short length scale where correlations are treated exactly using a cluster solver such QMC or ED, and the long length scale where correlations are treated in a mean field manner. At this intermediate length scale correlations can be treated perturbatively. This is the essence of multiscale many-body methods. We will review various implementations of these multiscale many-body approaches, the results they have produced, and the outstanding challenges that should be addressed for further advances.
Quantum periodic cluster methods for strongly-correlated electron systems are reformulated and developed. The real lattice is divided into a superlattice of clusters. The reformulation and development are based on a canonical transformation, which periodizes the fermions in the cluster space. The dynamical cluster approximation and the cellular dynamical mean field theory are related to each other through the canonical transformation. A cluster perturbation theory with periodic boundary conditions is developed. The periodic cluster perturbation theory is found to converge rapidly with corrections O(1/L(c)(2)), where L(c) is the linear size of the clusters, whereas the ordinary cluster perturbation theory converges with corrections O(1/L(c)).
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 dynamical cluster approximation and the cellular dynamical mean field theory are related each other through the canonical transformation. A cluster perturbation theory with periodic boundary conditions is developed. It is found that the periodic cluster perturbation theory converges rapidly with corrections O(1/Lc2)\mathcal{O}(1/L_c^2)O(1/Lc2​), where LcL_cLc​ is the linear size of the clusters, whereas the ordinary cluster perturbation theory converges with corrections O(1/Lc)\mathcal{O}(1/L_c)O(1/Lc​).
These lecture notes provide an introduction to quantum cluster methods for strongly correlated systems. Cluster Perturbation Theory (CPT), the Variational Cluster Approximation (VCA) and Cellular Dynamical Mean Field Theory (CDMFT) are described, as well as the exact diagonalization solver for the cluster. Potthoff's self-energy functional formalism is reviewed. Some numerical procedures, in particular regarding the exact diagonalization method and the frequency-momentum integrals needed in VCA, are discussed in detail.
We review the dynamical mean-field theory of strongly correlated electron systems which is based on a mapping of lattice models onto quantum impurity models subject to a self-consistency condition. This mapping is exact for models of correlated electrons in the limit of large lattice coordination (or infinite spatial dimensions). It extends the standard mean-field construction from classical statistical mechanics to quantum problems. We discuss the physical ideas underlying this theory and its mathematical derivation. Various analytic and numerical techniques that have been developed recently in order to analyze and solve the dynamical mean-field equations are reviewed and compared to each other. The method can be used for the determination of phase diagrams (by comparing the stability of various types of long-range order), and the calculation of thermodynamic properties, one-particle Green's functions, and response functions. We review in detail the recent progress in understanding the Hubbard model and the Mott metal-insulator transition within this approach, including some comparison to experiments on three-dimensional transition-metal oxides. We present an overview of the rapidly developing field of applications of this method to other systems. The present limitations of the approach, and possible extensions of the formalism are finally discussed. Computer programs for the numerical implementation of this method are also provided with this article.