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Ab initio calculation of electronic structure and structural properties of ZnSexTe1−x

✍ Scribed by B. Freytag; U. Rössler


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
340 KB
Volume
138
Category
Article
ISSN
0022-0248

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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