dorsal/arxiv
View SchemaReply to Comment by Holas and March
| Authors | R. K. Nesbet |
|---|---|
| Categories | |
| ArXiv ID | physics/0309120 |
| URL | https://arxiv.org/abs/physics/0309120 |
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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"abstract": "The accompanying Comment by A. Holas and N. H. March [Phys. Rev. A {\\bf 66},\n066501 (2002)] is concerned with the issue of whether or not kinetic energy can\nbe represented by an effective local potential, as required for an exact\nThomas-Fermi theory equivalent to Kohn-Sham density-functional theory. They\ndispute [R.K. Nesbet, Phys. Rev. A {\\bf 65}, 010502(R) (2001)], which concludes\nthat for more than two electrons the use by Kohn and Sham of the Schr\\\"odinger\nkinetic energy operator is variationally correct, while the equivalent local\npotential required for a valid Thomas-Fermi theory, a Fr\\\u0027echet functional\nderivative of the Kohn-Sham ground-state kinetic energy functional, does not\nexist. The argument of Holas and March is clearly invalid for the simple\nexample of the lowest triplet state of a two-electron atom with noninteracting\nelectrons. Why this fails, as do earlier arguments in the literature, has been\nexplained in recent publications, summarized here.",
"arxiv_id": "physics/0309120",
"authors": [
"R. K. Nesbet"
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"categories": [
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"title": "Reply to Comment by Holas and March",
"url": "https://arxiv.org/abs/physics/0309120"
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