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AB initio calculations of the electronic structure and doubling parameters of BS

✍ Scribed by J.M. Sennesal; J.M. Robbe; J. Schamps


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
668 KB
Volume
55
Category
Article
ISSN
0301-0104

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Ab initio calculations of the electronic
✍ J. M. AndrΓ©; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 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