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

159   0   0.0 ( 0 )
 Added by Brandon P. van Zyl
 Publication date 2015
  fields Physics
and research's language is English




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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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The average-density approximation is used to construct a nonlocal kinetic energy functional for an inhomogeneous two-dimensional Fermi gas. This functional is then used to formulate a Thomas-Fermi von Weizsacker-like theory for the description of the ground state properties of the system. The quality of the kinetic energy functional is tested by performing a fully self-consistent calculation for an ideal, harmonically confined, two-dimensional system. Good agreement with exact results are found, with the number and kinetic energy densities exhibiting oscillatory structure associated with the nonlocality of the energy functional. Most importantly, this functional shows a marked improvement over the two-dimensional Thomas-Fermi von Weizsacker theory, particularly in the vicinity of the classically forbidden region.
159 - B. P. van Zyl , W. Kirkby , 2015
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