Abstract
Extended Hückel tight binding (EH-TB) calculations are shown to give a satisfactory description of alkali crystals. It is found that maximization of the valence p orbital overlap is a significant factor in determining the large interatomic separation.
Original language | English |
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Pages (from-to) | 72-78 |
Number of pages | 7 |
Journal | Journal of Solid State Chemistry |
Volume | 65 |
Issue number | 1 |
DOIs | |
Publication status | Published - Nov 1 1986 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry