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RESEARCH PRODUCT

On the lower bound on the exchange-correlation energy in two dimensions

Klaus CapelleStefano PittalisCesar Ramon ProettoEsa Räsänen

subject

PhysicsCondensed Matter - Mesoscale and Nanoscale PhysicsStrongly Correlated Electrons (cond-mat.str-el)Mathematical analysisFOS: Physical sciences//purl.org/becyt/ford/1.3 [https]Condensed Matter PhysicsCurvatureUpper and lower boundsAtomic and Molecular Physics and OpticsQUANTUM DOTElectronic Optical and Magnetic MaterialsDENSITY-FUNCTIONAL THEORYLIEB-OXFORD BOUND//purl.org/becyt/ford/1 [https]Condensed Matter - Strongly Correlated ElectronsSimple (abstract algebra)Quantum mechanicsMesoscale and Nanoscale Physics (cond-mat.mes-hall)Density functional theoryLimit (mathematics)Focus (optics)Gravitational binding energyEnergy (signal processing)

description

We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit determination of the prefactor of the bound and testing its tightness. Next we focus on finite two-dimensional systems and examine how their distance from the bound depends on the system geometry. The results for the high-density limit suggest that a finite system that comes as close as possible to the ultimate bound on the exchange-correlation energy has circular geometry and a weak confining potential with a negative curvature. Fil: Räsänen, Esa. Universidad de Jyvaskyla; Finlandia Fil: Pittalis, Stefano. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos Fil: Proetto, Cesar Ramon. Freie Universität Berlin; Alemania. European Theoretical Spectroscopy Facility; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina Fil: Capelle, K.. Universidade de Sao Paulo; Brasil

10.1016/j.physe.2009.11.126https://www.sciencedirect.com/science/article/pii/S1386947709005621