Semi-infinite metal: perturbative treatment based on semi-infinite jellium

Energy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal element...

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Veröffentlicht in:Condensed matter physics 2008-12, Vol.11 (4), p.641
Hauptverfasser: Kostrobij, Markovych
Format: Artikel
Sprache:eng
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Zusammenfassung:Energy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal elements (electron distribution functions) are necessary. In a specific case of a local pseudo-potential within the first order of perturbation theory, our results for energy coincide with those widely applicable in the density functional theory.
ISSN:1607-324X
DOI:10.5488/CMP.11.4.641