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Ab initio calculation of the macroscopic dielectric constant in silicon

✍ Scribed by Baroni, Stefano; Resta, Raffaele

Book ID
126035789
Publisher
The American Physical Society
Year
1986
Tongue
English
Weight
370 KB
Volume
33
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES

Ab initio calculation of dynamic polariz
Ab initio calculation of dynamic polarizability and dielectric constant of carbon and silicon cubic crystals
✍ Ayma, David; Campillo, Jean Pierre; RοΏ½rat, Michel; CausοΏ½, Mauro πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 271 KB

Valence and conduction bands of carbon silicon cubic systems are first obtained by a process called linear combination of atomic orbitals Ε½ . Ε½ . self-consistent field LCAO-SCF , both at the Hartree-Fock HF and local density Ε½ . approximation LDA levels. Then, the crystalline orbitals are used in a