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

J. Towers, B. P. van Zyl, and W. Kirkby
Phys. Rev. B 92, 075129 – Published 20 August 2015

Abstract

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 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 inhomogeneous, 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, 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 pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

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  • Received 11 July 2015

DOI:https://doi.org/10.1103/PhysRevB.92.075129

©2015 American Physical Society

Authors & Affiliations

J. Towers

  • Jack Dodd Centre for Quantum Technology, Department of Physics, University of Otago, Dunedin, New Zealand

B. P. van Zyl and W. Kirkby

  • Department of Physics, St. Francis Xavier University, Antigonish, Nova Scotia, Canada B2G 2W5

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Vol. 92, Iss. 7 — 15 August 2015

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