Pauli potential in terms of kinetic energy density and electron density in the leading Coulombic term of the nonrelativistic 1/Z expansion of spherical atomic ions

N. H. March and Á. Nagy
Phys. Rev. A 81, 014502 – Published 25 January 2010

Abstract

The Pauli potential VP in density functional theory is known to be the difference between the functional derivative of the single-particle kinetic energy Ts[n] with respect to the electron density n and its von Weizsäcker counterpart. For the leading Coulombic term in the 1/Z expansion for spherical atomic ions, VP[n] is written in terms of the kinetic energy density plus n(r) and its low-order derivatives. For comparison, the example of an arbitrary number of closed shells with purely harmonic confinement is also treated.

  • Received 7 October 2009

DOI:https://doi.org/10.1103/PhysRevA.81.014502

©2010 American Physical Society

Authors & Affiliations

N. H. March1,2 and Á. Nagy3

  • 1Department of Physics, University of Antwerp, Antwerp, Belgium
  • 2Oxford University, Oxford, England
  • 3Department of Theoretical Physics, University of Debrecen, H-4010 Debrecen, Hungary

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Vol. 81, Iss. 1 — January 2010

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