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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| Published in: | Condensed Matter Physics |
|---|---|
| Date: | 1999 |
| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
1999
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| 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. |