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Reply to Comment by Holas and March

Atomic Physics 2007-05-23 v1 Condensed Matter Chemical Physics Computational Physics

Abstract

The accompanying Comment by A. Holas and N. H. March [Phys. Rev. A {\bf 66}, 066501 (2002)] is concerned with the issue of whether or not kinetic energy can be represented by an effective local potential, as required for an exact Thomas-Fermi theory equivalent to Kohn-Sham density-functional theory. They dispute [R.K. Nesbet, Phys. Rev. A {\bf 65}, 010502(R) (2001)], which concludes that for more than two electrons the use by Kohn and Sham of the Schr\"odinger kinetic energy operator is variationally correct, while the equivalent local potential required for a valid Thomas-Fermi theory, a Fr\'echet functional derivative of the Kohn-Sham ground-state kinetic energy functional, does not exist. The argument of Holas and March is clearly invalid for the simple example of the lowest triplet state of a two-electron atom with noninteracting electrons. Why this fails, as do earlier arguments in the literature, has been explained in recent publications, summarized here.

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Cite

@article{arxiv.physics/0309120,
  title  = {Reply to Comment by Holas and March},
  author = {R. K. Nesbet},
  journal= {arXiv preprint arXiv:physics/0309120},
  year   = {2007}
}

Comments

2pp resub to include title and author