Overlap model and ab initio cluster calculations of polarisabilities of ions in solids
A recently developed overlap model for exchange-induction is used to simulate in-crystal anion polarisabilities for alkali halides and chalcogenides (LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr, KBr, MgO, CaO, SrO, MgS, CaS and SrS) in overall qualitative agreement with results of ab initio cluster ca...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Sprog: | English |
| Udgivet: |
1999
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