RETRACTED ARTICLE: Quasi-dimensional models applied to kinetic and exchange energy density functionals

Vittoria Urso () and Lucian A. Constantin
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Vittoria Urso: Istituto Italiano di Tecnologia
Lucian A. Constantin: Istituto Italiano di Tecnologia

The European Physical Journal B: Condensed Matter and Complex Systems, 2021, vol. 94, issue 7, 1-9

Abstract: Abstract We investigate the behavior of three-dimensional 3D exchange energy functional of density-functional theory in anisotropic systems with two-dimensional 2D character and 1D character. The local density approximation (LDA), the generalized gradient approximation (GGA), and the meta-GGA behave as functions of quantum well width. We use the infinite-barrier model (IBM) for the quantum well. In the first section, we describe the problem of three-dimensional exchange functional, in the second section we introduce the quasi-2D IBM system, in the third section we introduce the quasi-1D IBM system. Using that an exact-exchange functional provides the correct approach to the true two-dimensional limit, we want to show that the 2D limit can be considered as a constraint on approximate functionals. For the 1D limit case we also propose a new functional obtained with methods completely similar to those of 2D limit.

Date: 2021
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DOI: 10.1140/epjb/s10051-021-00159-y

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