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) |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | 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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ISSN: | 0953-8984 1361-648X |
DOI: | 10.1088/0953-8984/21/6/064206 |