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Kinetic energy as a density functional

R. K. Nesbet
Phys. Rev. A 65, 010502(R) – Published 14 December 2001
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Abstract

Whether or not kinetic energy can be represented in orbital Kohn-Sham equations by an effective local potential has been discussed in several recent publications, reaching conflicting conclusions. It is shown here that this conflict can be resolved by dropping the widespread but unjustified assumption that the existence of a ground-state density functional for the kinetic energy of an N-electron system implies the existence of a density-functional derivative equivalent to a local potential function. For more than two electrons, a density-functional derivative does exist, but has the mathematical character of a linear operator that acts on orbital wave functions.

  • Received 18 April 2001

DOI:https://doi.org/10.1103/PhysRevA.65.010502

©2001 American Physical Society

Authors & Affiliations

R. K. Nesbet

  • IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120-6099

Comments & Replies

Comment on “Kinetic energy as a density functional”

A. Holas and N. H. March
Phys. Rev. A 66, 066501 (2002)

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Vol. 65, Iss. 1 — January 2002

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