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Bond charge model of amorphous tetrahedrally coordinated solids

✍ Scribed by R. Dandoloff; G. Döhler; H. Bilz


Book ID
118331466
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
387 KB
Volume
35-36
Category
Article
ISSN
0022-3093

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Determination of the charge distribution
✍ André Julg; Francis Marinelli; Alain Pellégatti 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 511 KB

## Abstract A SCF method using localized molecular orbitals which are built up on hybrid atomic orbitals is proposed to obtain the charges in infinite crystals. Hybrid orbitals are built up on a minimal STO basis set. The formalism has been adapted in order to take into account the periodicity of t