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arXiv:1705.00024 · Reviews of Modern Physics

Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory

G. Rohringer, Hartmut Hafermann, A. Toschi, A. A. Katanin, Andrey E. Antipov, Mikhail I. Katsnelson, Alexander I. Lichtenstein, A. N. Rubtsov, Karsten Held

Published May 9, 2018• 443 citations
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Abstract

The inclusion of strong electronic correlations into a theoretical description of solids is a notoriously hard problem. This review describes various recent schemes to improve on dynamical mean field theory, which includes only local correlations, by systematically incorporating nonlocal correlations as well, and discusses applications to standard models of strongly correlated electrons.

DOI
10.1103/revmodphys.90.025003

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The inclusion of strong electronic correlations into a theoretical description of solids is a notoriously hard problem. This review describes various recent schemes to improve on dynamical mean field theory, which includes only local correlations, by systematically incorporating nonlocal correlations as well, and discusses applications to standard models of strongly correlated electrons.
We develop a diagrammatic approach with local and nonlocal self-energy diagrams, constructed from the local irreducible vertex. This approach includes the local correlations of dynamical mean-field theory and long-range correlations beyond. It allows us, for example, to describe (para)magnons and weak localization effects---in strongly correlated systems. As a first application, we study the interplay between nonlocal antiferromagnetic correlations and the strong local correlations emerging in the vicinity of a Mott-Hubbard transition.
Extended dynamical mean-field theory (EDMFT) is insufficient to describe nonlocal effects in strongly correlated systems, since corrections to the mean-field solution are generally large. We present an efficient scheme for the construction of diagrammatic extensions of EDMFT that avoids the usual double-counting problem by using an exact change of variables (the Dual Boson formalism) to distinguish the correlations included in the dynamical mean-field solution and those beyond. With a computational efficiency comparable to the EDMFT+GW\mathrm{EDMFT}+\mathrm{GW}EDMFT+GW approach, our scheme significantly improves on the charge order transition phase boundary in the extended Hubbard model.
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to Hartree-Fock-type approximations the mean field of DMFT is dynamical, whereby local quantum fluctuations are fully taken into account. DMFT becomes exact in the limit of high spatial dimensions or coordination number. Using DMFT the dynamics of correlated electron systems can be investigated non-perturbatively at all interaction strengths, electron densities and temperatures. By merging density functional theory with DMFT a powerful method for the calculation of the properties of correlated electron materials has become available, which is applicable to bulk systems and heterostructures, including topological states of matter. The inclusion of non-local correlations into DMFT makes it possible to explore unconventional superconductivity and the critical behavior at thermal or quantum phase transitions. By generalizing DMFT to non-equilibrium states also the real-time dynamics of correlated systems can be investigated. In this brief review the foundations and current status of DMFT are discussed along with characteristic physical insights obtained with this approach.
We present a novel scheme for an unbiased, nonperturbative treatment of strongly correlated fermions. The proposed approach combines two of the most successful many-body methods, the dynamical mean field theory and the functional renormalization group. Physically, this allows for a systematic inclusion of nonlocal correlations via the functional renormalization group flow equations, after the local correlations are taken into account nonperturbatively by the dynamical mean field theory. To demonstrate the feasibility of the approach, we present numerical results for the two-dimensional Hubbard model at half filling.
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.
In this lecture we give an introduction to theoretical description of strongly correlated materials based on dynamical mean-¿eld theory (DMFT) and its extensions.The goal of this theoretical construction is to retain the many-body aspects of local atomic physics within the extended solid.The effects of short-range non-local correlations within cluster extensions of the DMFT scheme, as well as long-range Àuctuations within the fully renormalized dual-fermion perturbation scheme are discussed extensively.Recent progress in the numerical solution of the DMFT effective quantum impurity problem within the recently developed continuous-time Quantum Monte Carlo schemes is reviewed.We then describe realistic extensions of this approach which combine the accuracy of ¿rst-principle Density-Functional Theory with the treatment of local many-body effects within DMFT.