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Zero-field splitting of the self-trapped exciton in alkali fluorides and alkaline-earth fluorides

✍ Scribed by Song, K S; Leung, C H; Spaeth, J M


Book ID
120527721
Publisher
Institute of Physics
Year
1990
Tongue
English
Weight
461 KB
Volume
2
Category
Article
ISSN
0953-8984

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Self-consistent embedded-cluster calcula
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## Abstract Molecular orbital calculations are performed for clusters representing the CaF~2~, SrF~2~, and BaF~2~ ionic crystals. The discrete variational method is employed, with the XΞ± approximation for the exchange interaction; a detailed investigation of different models for embedding the clust