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We present an efficient exact diagonalization scheme for the extended dynamical mean-field theory and apply it to the extended Hubbard model on the square lattice with nonlocal charge-charge interactions. Our solver reproduces the phase…

Strongly Correlated Electrons · Physics 2018-01-03 Darya Medvedeva , Sergei Iskakov , Friedrich Krien , Vladimir V. Mazurenko , Alexander I. Lichtenstein

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the…

Strongly Correlated Electrons · Physics 2007-05-23 Harald O. Jeschke , Gabriel Kotliar

We present an efficient method to solve the impurity Hamiltonians involved in Dynamical Mean-Field Theory at low but finite temperature, based on the extension of the Lanczos algorithm from ground state properties alone to excited states.…

Strongly Correlated Electrons · Physics 2007-12-18 M. Capone , L. de' Medici , A. Georges

We present a powerful method for calculating the thermodynamic properties of the Hubbard model in infinite dimensions, using an exact diagonalization of an Anderson model with a finite number of sites. At finite temperatures, the explicit…

Condensed Matter · Physics 2007-05-23 Michel Caffarel , Werner Krauth

Within the framework of exact diagonalization (ED), we compute the ground state of Anderson impurity problem using the variational approach based on the configuration interaction (CI) expansion. We demonstrate that an accurate ground state…

Strongly Correlated Electrons · Physics 2013-07-19 Chungwei Lin , Alexander A. Demkov

We here present how a self-consistent solution of the dynamical mean field theory equations can be obtained using exact diagonalization of an Anderson impurity model with accuracies comparable to those found using renormalization group or…

Strongly Correlated Electrons · Physics 2014-08-06 Y. Lu , M. Höppner , O. Gunnarsson , M. W. Haverkort

We describe a variational approach to solving Anderson impurity models by means of exact diagonalization. Optimized parameters of a discretized auxiliary model are obtained on the basis of the Peierls-Feynman-Bogoliubov principle. Thereby,…

Strongly Correlated Electrons · Physics 2015-06-26 M. Schüler , C. Renk , T. O. Wehling

We present an efficient impurity solver for the dynamical mean-field theory (DMFT). It is based on the separation of bath degrees of freedom into the low energy and the high energy parts. The former is solved exactly using exact…

Strongly Correlated Electrons · Physics 2017-01-02 Hengyue Li , Ning-Hua Tong

We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the…

Strongly Correlated Electrons · Physics 2007-05-23 C. J. Bolech , S. S. Kancharla , G. Kotliar

We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…

Strongly Correlated Electrons · Physics 2017-08-30 Ara Go , Andrew J. Millis

We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting…

Strongly Correlated Electrons · Physics 2012-09-13 Mats Granath , Hugo U. R. Strand

We implement the Lanczos algorithm on natural orbital basis to solve the zero-temperature Green's function of Anderson impurity models, following the work of Y. Lu, M. H\"{o}ppner, O. Gunnarsson, and M. W. Haverkort, Phys. Rev. B {\bf 90}…

Strongly Correlated Electrons · Physics 2018-12-05 Sheng Bi , Li Huang , Ning-Hua Tong

This work reports a theoretical framework that combines the auxiliary coherent potential approximation (ACPA-DMFT) with dynamical mean-field theory to study strongly correlated and disordered electronic systems with both diagonal and…

Strongly Correlated Electrons · Physics 2025-02-12 Zelei Zhang , Jiawei Yan , Li Huang , Youqi Ke

The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…

Strongly Correlated Electrons · Physics 2015-04-23 Alexei A. Kananenka , Emanuel Gull , Dominika Zgid

We present a numerical method for the study of correlated quantum impurity problems out of equilibrium, which is particularly suited to address steady state properties within Dynamical Mean Field Theory. The approach, recently introduced in…

Strongly Correlated Electrons · Physics 2014-04-08 Antonius Dorda , Martin Nuss , Wolfgang von der Linden , Enrico Arrigoni

The Hubbard model has often been studied with exact diagonalization (ED). This impurity solver is fundamentally limited by the exponential scaling of the Fock space. To address this problem, we introduce Monte Carlo diagonalization. Using a…

Strongly Correlated Electrons · Physics 2025-09-30 B. Bernard , M. Charlebois

In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…

Strongly Correlated Electrons · Physics 2009-06-10 Qingguo Feng , Yuzhong Zhang , Harald O. Jeschke

We propose that a combination of the semiclassical approximation with Monte Carlo simulations can be an efficient and reliable impurity solver for dynamical mean field theory equations and their cluster extensions with large cluster sizes.…

Strongly Correlated Electrons · Physics 2015-06-15 Hunpyo Lee , Yu-Zhong Zhang , Hoonkyung Lee , Yongkyung Kwon , Harald O. Jeschke , Roser Valenti

We propose using an equation-of-motion approach as an impurity solver for dynamical mean field theory. As an illustration of this technique, we consider a finite-$U$ Hubbard model defined on the Bethe lattice with infinite connectivity at…

Strongly Correlated Electrons · Physics 2007-05-23 Jian-Xin Zhu , R. C. Albers , J. M. Wills

We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary…

Strongly Correlated Electrons · Physics 2013-06-11 D. Rost , F. Assaad , N. Blümer
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