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RETRACTED ARTICLE: Quasi-dimensional models applied to kinetic and exchange energy density functionals

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  • Vittoria Urso

    (Istituto Italiano di Tecnologia)

  • Lucian A. Constantin

    (Istituto Italiano di Tecnologia)

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.

Suggested Citation

  • Vittoria Urso & Lucian A. Constantin, 2021. "RETRACTED ARTICLE: Quasi-dimensional models applied to kinetic and exchange energy density functionals," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 94(7), pages 1-9, July.
  • Handle: RePEc:spr:eurphb:v:94:y:2021:i:7:d:10.1140_epjb_s10051-021-00159-y
    DOI: 10.1140/epjb/s10051-021-00159-y
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