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Defect energies of graphite: Density-functional calculations

✍ Scribed by Li, L.; Reich, S.; Robertson, J.


Book ID
118155163
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
925 KB
Volume
72
Category
Article
ISSN
1098-0121

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Density functional calculations of optic
✍ A. C. StΓΌckl; C. A. Daul; H. U. GΓΌdel πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 208 KB πŸ‘ 2 views

Optical excitation energies of MnO y , CrO 2y , and RuO are calculated using the density 4 4 4 functional methodology. A short outline of some important developments in this theory for the determination of excited-state properties is given. A practical working procedure for the calculation of transi