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ENERGY LEVELS OF d1 ELECTRONS IN CaF2. EVIDENCE OF STRONG DYNAMICAL JAHN-TELLER DISTORTIONS

โœ Scribed by O'Connor, J. R.; Chen, J. H.


Book ID
120067458
Publisher
American Institute of Physics
Year
1964
Tongue
English
Weight
474 KB
Volume
5
Category
Article
ISSN
0003-6951

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Jahn-Teller distortion and electronic st
โœ Jacques Weber; Hans Bill ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 381 KB

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.