RETRACTED: Quasi-dimensional models applied to kinetic and exchange energy density functionals (Retracted article. See vol. 95, 2022)

被引:1
|
作者
Urso, Vittoria [1 ]
Constantin, Lucian A. [1 ]
机构
[1] Ist Italiano Tecnol, Ctr Biomol Nanotechnol UNILE, Via Barsanti, I-73010 Arnesano, Italy
来源
EUROPEAN PHYSICAL JOURNAL B | 2021年 / 94卷 / 07期
关键词
GENERALIZED GRADIENT APPROXIMATION; TOP PAIR-DENSITY; CORRELATION POTENTIALS; CORRELATION HOLE;
D O I
10.1140/epjb/s10051-021-00159-y
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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.
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页数:9
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