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: Ab initio band-structure calculations

โœ Scribed by Cario, Laurent; Johrendt, Dirk; Lafond, Alain; Felser, Claudia; Meerschaut, Alain; Rouxel, Jean


Book ID
121332504
Publisher
The American Physical Society
Year
1997
Tongue
English
Weight
227 KB
Volume
55
Category
Article
ISSN
1098-0121

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## Abstract A new program for band structure calculations of periodic oneโ€dimensional systems has been constructed. It is distinguishable from other codes by the efficient twoโ€electron integral evaluation and the integration schemes of the density matrix in the first Brillouin zone. The computation