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The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…

其他凝聚态物理 · 物理学 2021-01-15 Mike Entwistle , Matthew Hodgson , Jack Wetherell , Bradley Longstaff , James Ramsden , Rex Godby

We explore a new class of computationally feasible approximations of the two-body density matrix as a finite sum of tensor products of single-particle operators. Physical symmetries then uniquely determine the two-body matrix in terms of…

材料科学 · 物理学 2009-09-25 Gabor Csanyi , T. A. Arias

An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and to the homogeneous electron gas. The performance of the…

强关联电子 · 物理学 2015-05-13 N. N. Lathiotakis , S. Sharma , J. K. Dewhurst , F. Eich , M. A. L. Marques , E. K. U. Gross

In a previous work [L.Delle Site, J.Phys.A 40, 2787 (2007)] the derivation of an analytic expression for the kinetic functional of a many-body electron system has been proposed. Though analytical, the formula is still non local…

量子物理 · 物理学 2009-11-13 Luca M. Ghiringhelli , Luigi Delle Site

For a fermion gas with equally spaced energy levels, the density and the pair correlation function are obtained. The derivation is based on the path integral approach for identical particles and the inversion of the generating functions for…

统计力学 · 物理学 2009-10-31 F. Brosens , J. T. Devreese , L. F. Lemmens

We study the formation of spontaneous spin polarization in inhomogeneous electron systems with pair interaction localized in a small region that is not separated by a barrier from surrounding gas of non-interacting electrons. Such a system…

介观与纳米尺度物理 · 物理学 2015-02-17 Vladimir A. Sablikov , Bagun S. Shchamkhalova

A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…

其他凝聚态物理 · 物理学 2018-06-27 Mike Entwistle , Michele Casula , Rex Godby

We present a class of exactly solvable models of correlated electrons. The models are defined in any dimension $d$ and consist of electron-hopping terms and local attractive interactions between electrons. For each even number of electrons…

强关联电子 · 物理学 2009-11-10 Akinori Tanaka

Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic…

强关联电子 · 物理学 2022-12-21 James P. F. LeBlanc , Kun Chen , Kristjan Haule , Nikolay V. Prokof'ev , Igor S. Tupitsyn

The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular…

强关联电子 · 物理学 2023-04-12 K. Karlsson , F. Aryasetiawan

We report on a diffusion Monte Carlo investigation of model electron systems in low dimensions, which should be relevant to the physics of systems obtainable nowadays in semiconductor heterostructures. In particular, we present results for…

强关联电子 · 物理学 2007-05-23 A. Malatesta , Gaetano Senatore

We develop the first order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite temperature density functional calculations. Based on this we propose and implement a simple…

计算物理 · 物理学 2015-06-22 Travis Sjostrom , Jerome Daligault

The ground states of the homogeneous electron gas and the homogeneous electron liquid are cornerstones in quantum physics and chemistry. They are archetypal systems in the regime of slowly varying densities in which the exchange-correlation…

强关联电子 · 物理学 2023-08-28 L. V. Duc Pham , Pascal Sattler , Miguel A. L. Marques , Carlos L. Benavides-Riveros

We coherently manipulate spin correlations in a two-component atomic Fermi gas loaded into an optical lattice using spatially and time-resolved Ramsey spectroscopy combined with high-resolution \textit{in situ} imaging. This novel technique…

量子气体 · 物理学 2018-05-09 N. Wurz , C. F. Chan , M. Gall , J. H. Drewes , E. Cocchi , L. A. Miller , D. Pertot , F. Brennecke , M. Köhl

We derive from first principles the existence of a low-frequency plasmon in a strongly coupled three-dimensional homogeneous electron gas (HEG). From its dispersion and its satisfaction of the 3rd frequency sum rule we identify it with the…

等离子体物理 · 物理学 2023-12-29 Gabor J. Kalman , Kenneth I. Golden , Luciano G. Silvestri

The capacity to identify realizable many-body configurations associated with targeted functional forms for the pair correlation function $g_2(r)$ or its corresponding structure factor $S(k)$ is of great fundamental and practical importance.…

统计力学 · 物理学 2020-04-07 Ge Zhang , Salvatore Torquato

A few approximate schemes to solve the Hedin equations self-consistently introduced in (Phys. Rev. B 94, 155101 (2016)) are explored and tested for the 3D electron gas at metallic densities. We calculate one electron spectra, dielectric…

强关联电子 · 物理学 2017-07-12 A. L. Kutepov , G. Kotliar

We consider an electrostatically induced square lattice of quantum dots and study the role of electron-electron correlations in the resulting electronic features of the system. We utilize the Wannier functions methodology in order to…

强关联电子 · 物理学 2022-01-11 A. Biborski , M. P. Nowak , M. Zegrodnik

The negative correlation energy per particle of a uniform electron gas of density parameter $r_s$ and spin polarization $\zeta$ is well known, but its spin resolution into up-down, up-up, and down-down contributions is not. Widely-used…

凝聚态物理 · 物理学 2009-11-10 Paola Gori-Giorgi , John P. Perdew

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