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Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

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 نشر من قبل Brandon P. van Zyl
 تاريخ النشر 2015
  مجال البحث فيزياء
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In a recent paper [Phys.~Rev.~A {bf 89}, 022503 (2014)], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density-functional theory of an inhomogenous, two-dimensional (2D), Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density-functional theory, and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, {em without any gradient corrections}, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor point-wise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for {em both} the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.



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