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Extensions of dynamical-mean-field-theory (DMFT) make use of quantum impurity models as non-perturbative and exactly solvable reference systems which are essential to treat the strong electronic correlations. Through the introduction of…

强关联电子 · 物理学 2017-09-25 F. Krien , E. G. C. P. van Loon , H. Hafermann , J. Otsuki , M. I. Katsnelson , A. I. Lichtenstein

The dual fermion (DF) method allows for calculating corrections due to non-local correlations relative to an effective impurity model. Choosing the impurity as that of a dynamical mean field theory (DMFT) solution at self-consistency is…

强关联电子 · 物理学 2018-09-12 Tin Ribic , Patrik Gunacker , Karsten Held

The dual boson approach [Ann. Phys. 327, 1320 (2012)] provides a means to construct a diagrammatic expansion around the extended dynamical mean-field theory (EDMFT). In this paper, we present the numerical implementation of the approach and…

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…

强关联电子 · 物理学 2009-11-11 Rok Zitko

Nonlocal correlations play an essential role in correlated electron systems, especially in the vicinity of phase transitions and crossovers, where two-particle correlation functions display a distinct momentum dependence. In nonequilibrium…

强关联电子 · 物理学 2023-06-29 Olivier Simard , Philipp Werner

The dynamical susceptibility of strongly correlated electronic systems can be calculated within the framework of the dynamical mean-field theory (DMFT). The required measurement of the four-point vertex of the auxiliary impurity model is…

强关联电子 · 物理学 2019-06-06 Friedrich Krien

We consider the collective, long-wavelength charge excitations in correlated media in presence of short- and long-range forces. As an example for the case of a short-range interaction, we examine the two-dimensional Hubbard model within…

Electronic correlated systems are often well described by dynamical mean field theory (DMFT). While DMFT studies have mainly focused hitherto on one-particle properties, valuable information is also enclosed into local two-particle Green's…

强关联电子 · 物理学 2012-09-25 Georg Rohringer , Angelo Valli , Alessandro Toschi

It is shown that a minimum realization of the dynamical mean-field theory (DMFT) can be achieved by mapping a correlated lattice model onto an impurity model in which the impurity is coupled to an uncorrelated bath that consists of a single…

强关联电子 · 物理学 2009-11-07 M. Potthoff

We study the spin and charge fluctuations of the extended Hubbard model (EHM) with on-site interaction U and first neighbor interaction V on the two-dimensional square lattice in the weak to intermediate coupling regime. We propose an…

强关联电子 · 物理学 2009-11-13 B. Davoudi , A. -M. S. Tremblay

The electrostatic interaction between two non-identical, moderately charged colloids situated in close proximity of each other at a fluid interface is studied. By resorting to a well-justified model system, this problem is analytically…

软凝聚态物质 · 物理学 2018-04-30 Arghya Majee , Timo Schmetzer , Markus Bier

Extended dynamical mean-field theory (EDMFT) is insufficient to describe non-local effects in strongly correlated systems, since corrections to the mean-field solution are generally large. We present an efficient scheme for the construction…

强关联电子 · 物理学 2020-06-02 E. A. Stepanov , A. Huber , E. G. C. P. van Loon , A. I. Lichtenstein , M. I. Katsnelson

Theoretical methods that are accurate for both short-distance observables and long-wavelength collective modes are still being developed for the Hubbard model. Here, we benchmark an approach that combines dynamical mean-field theory (DMFT)…

强关联电子 · 物理学 2023-03-09 N. Martin , C. Gauvin-Ndiaye , A. -M. S. Tremblay

The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…

强关联电子 · 物理学 2019-04-25 V. L. Campo

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…

强关联电子 · 物理学 2013-04-01 Thomas Ayral , Silke Biermann , Philipp Werner

We derive thermodynamically consistent models for diblock copolymer solutions coupled with the electric and magnetic field, respectively. These models satisfy the second law of thermodynamics and therefore are therefore thermodynamically…

数值分析 · 数学 2021-03-30 Xiaowen Shen , Qi Wang

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

材料科学 · 物理学 2009-11-10 Roi Baer , Daniel Neuhauser

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…

化学物理 · 物理学 2026-05-26 Yunhao Liu , Wenjie Dou

Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…

软凝聚态物质 · 物理学 2013-09-06 Matthias Schmidt , Joseph M. Brader

We propose an efficient dual boson scheme, which extends the DMFT paradigm to collective excitations in correlated systems. The theory is fully self-consistent both on the one- and on the two-particle level, thus describing the formation of…

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