Computational schemes for the ground-state pair density

Computational schemes for the ground-state pair density

We reconfirm the performance of the initial scheme for calculating the ground-state pair density (Higuchi and Higuchi 2007 Physica B 387 117, 2008 Phys. Rev. B 78 125101) by using the alternative approximation of the correlating kinetic energy functional. It is shown that about 20% of the correlatio...

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Veröffentlicht in:Journal of physics. Condensed matter 2009-02, Vol.21 (6), p.064206-064206 (4)
Hauptverfasser: Higuchi, K, Higuchi, M
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Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Exact sciences and technology
Methods of electronic structure calculations
Physics
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Higuchi, M
description We reconfirm the performance of the initial scheme for calculating the ground-state pair density (Higuchi and Higuchi 2007 Physica B 387 117, 2008 Phys. Rev. B 78 125101) by using the alternative approximation of the correlating kinetic energy functional. It is shown that about 20% of the correlation energy can be reproduced by the initial scheme, irrespective of the approximate form of the correlating kinetic energy functional. On the basis of the initial scheme, various kinds of schemes that go beyond the initial one can be developed. We illustrate two kinds of computational schemes.
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subjects Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Exact sciences and technology
Methods of electronic structure calculations
Physics
title Computational schemes for the ground-state pair density
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