Corrections to Thomas-Fermi Densities at Turning Points and Beyond

Raphael F. Ribeiro, Donghyung Lee, Attila Cangi, Peter Elliott, and Kieron Burke
Phys. Rev. Lett. 114, 050401 – Published 4 February 2015

Abstract

Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many noninteracting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the leading corrections to Thomas-Fermi theory, involve neither sums nor derivatives, are spatially uniform approximations, and are exceedingly accurate.

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  • Received 23 September 2014

DOI:https://doi.org/10.1103/PhysRevLett.114.050401

© 2015 American Physical Society

Authors & Affiliations

Raphael F. Ribeiro1, Donghyung Lee2, Attila Cangi3, Peter Elliott3, and Kieron Burke1

  • 1Department of Chemistry, University of California, Irvine, California 92697, USA
  • 2Samsung SDI Inc., SMRC, Samsung-ro 130, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803, Republic of Korea
  • 3Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany

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Issue

Vol. 114, Iss. 5 — 6 February 2015

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