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A simple and completely general representation of the exact exchange-correlation functional of density-functional theory is derived from the universal Lieb-Oxford bound, which holds for any Coulomb-interacting system. This representation…

Materials Science · Physics 2015-05-13 Mariana M. Odashima , K. Capelle

We study model one-dimensional chemical systems (representative of their three-dimensional counterparts) using the strictly-correlated electrons (SCE) functional, which, by construction, becomes asymptotically exact in the limit of infinite…

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…

Strongly Correlated Electrons · Physics 2009-02-25 S. Pittalis , E. Rasanen , C. Proetto , E. K. U. Gross

The correlation energy in density functional theory can be expressed exactly in terms of the change in the probability of finding two electrons at a given distance $r_{12}$ (intracule density) when the electron-electron interaction is…

Other Condensed Matter · Physics 2017-08-23 Paola Gori-Giorgi , Michael Seidl , Andreas Savin

Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke's atom, finding them usually less…

Chemical Physics · Physics 2014-12-25 David V. Feinblum , John Kenison , Kieron Burke

Strong correlation effects, such as a dramatic increase in the effective mass of the carriers of electricity, recently observed in the low density electron gas have provided spectacular support for the existence of a sharp metal-insulator…

Strongly Correlated Electrons · Physics 2009-11-13 A. Camjayi , K. Haule , V. Dobrosavljevic , G. Kotliar

We study a class of interacting particle systems in which $n$ signed particles move on the real line. At close range particles with the same sign repel and particles with opposite sign attract each other. The repulsion and attraction are…

Analysis of PDEs · Mathematics 2024-03-21 Patrick van Meurs

We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the corresponding density…

Strongly Correlated Electrons · Physics 2017-05-04 Luis Cort , Daniel Karlsson , Giovanna Lani , Robert van Leeuwen

The dynamical response theory is used to obtain an analytical expression for the exchange energy of a quantum wire for arbitrary polarization and width. It reproduces the known form of exchange energy for 1D electron gas in the limit of…

Strongly Correlated Electrons · Physics 2020-02-26 Vinod Ashokan , Renu Bala , Klaus Morawetz , Kare N. Pathak

The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

We consider free electrons in rectangular quantum dots, with either hard wall boundary conditions or anharmonic confinement. In both cases, due to finite size effects, a homogeneous electric field applied along one of the rectangular axis…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Stephane Pleutin

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and…

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

Spatially separated electron systems remain strongly coupled by electron-electron interactions even when they cannot exchange particles, provided that the layer separation d is comparable to a characteristic distance l between charge…

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively-charged…

Chemical Physics · Physics 2016-06-22 Jianwei Sun , John P. Perdew , Zenghui Yang , Haowei Peng

We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…

Analysis of PDEs · Mathematics 2015-03-19 Codina Cotar , Gero Friesecke , Claudia Klüppelberg

Our goal in this paper is twofold. First, we characterize the class of pairwise interactions for which the Seidl conjecture on the structure of optimal plans for the symmetric multimarginal optimal transport problem with one-dimensional…

Mathematical Physics · Physics 2026-04-14 Thiago Carvalho Corso

We calculate the `exact' potential corresponding to a one-dimensional interacting system of two electrons with a specific, tailored density. We use one-dimensional density-functional theory with a local-density approximation (LDA) on the…

Other Condensed Matter · Physics 2015-05-13 J. P. Coe , I. D'Amico

We use Kohn-Sham spin-density-functional theory to study the statistics of ground-state spin and the spacing between conductance peaks in the Coulomb blockade regime for both 2D isolated and realistic quantum dots. We make a systematic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Denis Ullmo , Weitao Yang , Harold U. Baranger

The effects of a long range electronic potential on a one dimensional chain of spinless fermions are investigated by numerical techniques (Exact Diagonalisation of rings with up to 30 sites complemented by finite size analysis) and analytic…

Strongly Correlated Electrons · Physics 2009-10-31 Sylvain Capponi , Didier Poilblanc , Thierry Giamarchi