Ab-initio computational study of the solid alkali metal hydrides
β Scribed by ChristopherG. Pike
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 114 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0263-7855
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π SIMILAR VOLUMES
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## Abstract For Abstract see ChemInform Abstract in Full Text.
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The present study discusses the main features of the two programs CRYSTAL and EMBED developed for the ab initio study of the electronic properties of perfect periodic structures and of crystals with local defects, respectively. After a brief historical introduction, the structure of CRYSTAL is outli