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Ab initio calculations of the electronic structure and effective magnetic moment of Nb4

✍ Scribed by Tomas Wahnström; Arne Rosén


Book ID
119482019
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
331 KB
Volume
189-190
Category
Article
ISSN
0039-6028

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Ab initio calculations of the electronic
✍ J. M. André; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 950 KB

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