How does one extract many-body interatomic potentials from ab-initio band structure calculations

An original approach to the ab-initio deriving many-body interatomic potentials in metals is discussed. It is based on calculating the Kohn-Sham total energy functional using the pseudopotential method. The local density approximation (LDA) is shown to be applied, within the pseudopotential concept...

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Bibliographic Details
Published in:Condensed Matter Physics
Date:1999
Main Authors: Gurskii, Z., Krawczyk, J.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 1999
Online Access:https://nasplib.isofts.kiev.ua/handle/123456789/120502
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Journal Title:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:How does one extract many-body interatomic potentials from ab-initio band structure calculations / Z. Gurskii, J. Krawczyk // Condensed Matter Physics. — 1999. — Т. 2, № 3(19). — С. 383-392. — Бібліогр.: 18 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine