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Related papers: Smooth self-energy in the exact-diagonalization-ba…

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We review two analytical approaches in Dynamical Mean-Field Theory (DMFT) based on a perturbation theory expansion over the electron hopping to and from the self consistent environment. In the first approach the effective single impurity…

Strongly Correlated Electrons · Physics 2007-05-23 I. V. Stasyuk , A. M. Shvaika

We develop the extended dynamical mean field theory (E-DMFT) with a view towards realistic applications. {\bf 1)} We introduce an intuitive derivation of the E-DMFT formalism. By identifying the Hartree contributions before the E-DMFT…

Strongly Correlated Electrons · Physics 2009-11-07 Ping Sun , Gabriel Kotliar

We report on a quantum-classical simulation of the single-band Hubbard model using two-site dynamical mean-field theory (DMFT). Our approach uses IBM's superconducting qubit chip to compute the zero-temperature impurity Green's function in…

Quantum Physics · Physics 2021-11-11 Trevor Keen , Thomas Maier , Steven Johnston , Pavel Lougovski

We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…

Strongly Correlated Electrons · Physics 2020-03-05 Tianyu Zhu , Zhi-Hao Cui , Garnet Kin-Lic Chan

We introduce DMET, a new quantum embedding theory for predicting ground-state properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET maps the the bulk interacting system to a simpler impurity model and is exact in the…

Strongly Correlated Electrons · Physics 2015-03-20 Gerald Knizia , Garnet Kin-Lic Chan

The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…

Strongly Correlated Electrons · Physics 2009-11-11 Rok Zitko

Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…

Computational Physics · Physics 2023-09-27 Vidushi Sharma , Lee A. Collins , Alexander J. White

The Iterated Perturbation Theory (IPT) equations of the Dynamical Mean Field Theory (DMFT) for the half-filled Hubbard model, are solved on nearly real frequencies at various values of the Hubbard parameters $U$, to investigate the nature…

Strongly Correlated Electrons · Physics 2008-08-05 M. B. Fathi , S. A. Jafari

We develop a novel analytic continuation method for self-energies on the Matsubara domain as computed by quantum Monte Carlo simulations within dynamical mean field theory (QMC+DMFT). Unlike a maximum entropy (maxEn) procedure employed for…

Strongly Correlated Electrons · Physics 2020-07-28 Taegeun Song , Roser Valenti , Hunpyo Lee

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…

Strongly Correlated Electrons · Physics 2020-07-16 Dieter Vollhardt

The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…

We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repulsion. We clarify the relation of the GW+DMFT scheme to…

Strongly Correlated Electrons · Physics 2013-04-01 Thomas Ayral , Silke Biermann , Philipp Werner

Dynamical mean-field theory (DMFT) is one of the most standard theoretical frameworks for addressing strongly correlated electron systems. Meanwhile, the concept of holography, developed in the field of quantum gravity, provides an…

Strongly Correlated Electrons · Physics 2026-01-29 Kouichi Okunishi , Akihisa Koga

We combine the single site dynamical mean field theory (DMFT) with the non-local GW method. This is done fully self-consistently and we apply our formalism to a one-band Hubbard model. Eventually at self-consistency the full self-energy and…

Strongly Correlated Electrons · Physics 2007-05-23 K. Karlsson

We provide a review of recently-develop dynamical mean-field theory (DMFT) approaches to the general problem of strongly correlated electronic systems with disorder. We first describe the standard DMFT approach, which is exact in the limit…

Strongly Correlated Electrons · Physics 2023-02-16 E. Miranda , V. Dobrosavljevic

For treating correlated electronic systems on quantum computers, we propose a quantum-classical hybrid scheme for dynamical mean-field theory (DMFT). In the quantum part of the scheme, we use modified quantum phase estimation (QPE) circuits…

The two-band Hubbard model involving subbands of different widths is investigated via finite-temperature exact diagonalization (ED) and dynamical mean field theory (DMFT). In contrast to the quantum Monte Carlo (QMC) method which at low…

Strongly Correlated Electrons · Physics 2009-11-11 A. Liebsch , T. A. Costi

The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present…

We present an inhomogeneous dynamical mean field theory (I-DMFT) that is suitable to investigate electron-lattice interactions in non-translationally invariant and/or inhomogeneous systems. The presented approach, whose only assumption is…

Materials Science · Physics 2018-10-26 Kevin-Davis Richler , Simone Fratini , Sergio Ciuchi , Didier Mayou

Density matrix embedding theory (DMET) [Phys. Rev. Lett., 109, 186404 (2012)], introduced a new approach to quantum cluster embedding methods, whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath…

Strongly Correlated Electrons · Physics 2015-06-24 George H. Booth , Garnet Kin-Lic Chan