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Ab initio large unit cell calculations of the electronic structure of diamond nanocrystals

✍ Scribed by Mudar A. Abdulsattar


Book ID
113914199
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
469 KB
Volume
13
Category
Article
ISSN
1293-2558

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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