The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.
✦ LIBER ✦
Jahn-Teller vibranic structure of the R′ center in LiF
✍ Scribed by H.R. Fetterman; D.B. Fitchen
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 260 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0038-1098
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