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Ab initio electronic-structure calculations on the Nb/Zr multilayer system

✍ Scribed by Leuken, H. v.; Lodder, A.; Czyżyk, M. T.; Springelkamp, F.; de Groot, R. A.


Book ID
121528380
Publisher
The American Physical Society
Year
1990
Tongue
English
Weight
912 KB
Volume
41
Category
Article
ISSN
1098-0121

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An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o