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Cation distributions in multisublattice ionic crystals and applications to solid solutions of ferrimagnetic garnets and spinels

✍ Scribed by Camillo Borghese


Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
114 KB
Volume
5
Category
Article
ISSN
0038-1098

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Determination of the charge distribution
✍ AndrΓ© Julg; Francis Marinelli; Alain PellΓ©gatti πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 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