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Dynamical mean field theory (DMFT) combined with the local density approximation (LDA) is widely used in solids to predict properties of correlated systems. In this paper, its application to one of the simplest strongly correlated systems,…

Strongly Correlated Electrons · Physics 2015-05-18 Juho Lee , Kristjan Haule

Electronic friction-Langevin dynamics (EF-LD) provides an efficient framework for capturing nonadiabatic effects at solid surfaces, with particular relevance to electrochemistry and molecular electronics. In this work, we investigate…

Chemical Physics · Physics 2026-05-26 Yunhao Liu , Wenjie Dou

We implement an efficient numerical method to calculate response functions of complex impurities based on the Density Matrix Renormalization Group (DMRG) and use it as the impurity-solver of the Dynamical Mean Field Theory (DMFT). This…

Strongly Correlated Electrons · Physics 2017-11-27 Y. Núñez Fernández , K. Hallberg

We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case…

Strongly Correlated Electrons · Physics 2015-05-30 Qingguo Feng , P. M. Oppeneer

In the last decades, dynamical mean-field theory (DMFT) and its diagrammatic extensions have been successfully applied to describe local and nonlocal correlation effects in correlated electron systems. Unfortunately, except for the exact…

Strongly Correlated Electrons · Physics 2022-11-02 Julian Stobbe , Georg Rohringer

We show how to use diagrammatic techniques to compute the weak-coupling perturbation series of the self-consistent solution to a Dynamical Mean Field Theory (DMFT) problem. This approach constitutes an alternative to using diagrammatic…

Strongly Correlated Electrons · Physics 2025-04-29 Corentin Bertrand , Michel Ferrero , Olivier Parcollet

In this paper, we show how the two-particle Green function (2PGF) can be obtained within the framework of the Dual Fermion approach. This facilitates the calculation of the susceptibility in strongly correlated systems where long-ranged…

Strongly Correlated Electrons · Physics 2009-11-13 S. Brener , H. Hafermann , A. N. Rubtsov , M. I. Katsnelson , A. I. Lichtenstein

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

The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…

Strongly Correlated Electrons · Physics 2015-05-30 D. Vollhardt , K. Byczuk , M. Kollar

We present a density functional theory (DFT) for lattice models with local electron-electron (e-e) and electron-phonon (e-ph) interactions. Exchange-correlation potentials are derived via dynamical mean field theory for the…

Strongly Correlated Electrons · Physics 2019-09-04 E. Viñas Boström , P. Helmer , P. Werner , C. Verdozzi

A formalism based on the fermionic functional-renormalization-group approach to interacting electron models defined on a lattice is presented. One-loop flow equations for the coupling constants and susceptibilities in the particle-particle…

Strongly Correlated Electrons · Physics 2024-08-21 Lucas Désoppi , Nicolas Dupuis , Claude Bourbonnais

In this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has…

Strongly Correlated Electrons · Physics 2022-01-05 Lorenzo Del Re , Georg Rohringer

The study of nonequilibrium phenomena in correlated lattice systems has developed into an active and exciting branch of condensed matter physics. This research field provides rich new insights that could not be obtained from the study of…

Strongly Correlated Electrons · Physics 2014-07-11 Hideo Aoki , Naoto Tsuji , Martin Eckstein , Marcus Kollar , Takashi Oka , Philipp Werner

We formulate a general cluster Dual Fermion Approach to nonlocal correlations in crystals. The scheme allows the treatment of long-range correlations beyond cluster DMFT and nonlocal effects in realistic calculations of multiorbital…

Strongly Correlated Electrons · Physics 2015-05-13 H. Hafermann , S. Brener , A. N. Rubtsov , M. I. Katsnelson , A. I. Lichtenstein

We study a proof-of-principle example of the recently proposed hybrid quantum-classical simulation of strongly correlated fermion models in the thermodynamic limit. In a "two-site" dynamical mean-field theory (DMFT) approach we reduce the…

In this work we present a multi-orbital form of the Two-Particle Self-Consistent approach (TPSC), here the effective local and static irreducible interaction vertices are determined by means of the Dynamical Mean-Field Theory (DMFT). This…

Strongly Correlated Electrons · Physics 2023-06-16 Karim Zantout , Steffen Backes , Aleksandar Razpopov , Dominik Lessnich , Roser Valenti

Two-dimensional mixtures of dipolar colloidal particles with different dipole moments exhibit extremely rich self-assembly behaviour and are relevant to a wide range of experimental systems, including charged and super-paramagnetic colloids…

Soft Condensed Matter · Physics 2019-04-16 W. R. C. Somerville , J. L. Stokes , A. M. Adawi , T. S. Horozov , A. J. Archer , D. M. A. Buzza

We generalize the recently introduced dual fermion (DF) formalism for disordered fermion systems by including the effect of interactions. For an interacting disordered system the contributions to the full vertex function have to be…

Strongly Correlated Electrons · Physics 2014-05-21 S. -X. Yang , P. Haase , H. Terletska , Z. Y. Meng , T. Pruschke , J. Moreno , M. Jarrell

We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…

Strongly Correlated Electrons · Physics 2009-11-10 Xi Dai , Kristjan Haule , Gabriel Kotliar

We present here two alternative schemes designed to correct the high-frequency truncation errors in the numerical treatment of the Bethe-Salpeter equations. The schemes are applicable to all Bethe-Salpeter calculations with a local…

Strongly Correlated Electrons · Physics 2018-08-02 Agnese Tagliavini , Stefan Hummel , Nils Wentzell , Sabine Andergassen , Alessandro Toschi , Georg Rohringer