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Thermomigration of oxygen in (U, Pu)O2−x described by a cluster model

✍ Scribed by D.I.R. Norris


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
545 KB
Volume
68
Category
Article
ISSN
0022-3115

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A model for self-consistent cluster calc
✍ B. Cartling; B. Roos; U. Wahlgren 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 451 KB

It is shown that essential Features of the band structure of a. covalent crystal, as silicon, emerge in the level scheme of a cluster calculation utilizing the SCF Xa scattered wave method. 'The model cluster was terminated by a layer of saturating atoms to take care or the dangling bonds and the po