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Jahn–Teller, pseudo Jahn–Teller, and Renner–Teller effects in systems with fractional charges

✍ Scribed by Natalia N. Gorinchoy; Iolanta I. Balan; Isaac B. Bersuker

Book ID
116379967
Publisher
Elsevier
Year
2011
Tongue
English
Weight
545 KB
Volume
976
Category
Article
ISSN
2210-271X

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Combined Jahn—Teller and pseudo-Jahn—Tel
Combined Jahn—Teller and pseudo-Jahn—Teller effects in the P+4 cation
✍ R. Meiswinkel; H. Köppel 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 663 KB

We analyze a combined (T+E)@ (r+s) Jahn-Teller plus pseudo-Jahn-Teller effect for the 'E ground state and the 'Tr first excited state in the P: cation. Ab initio SCF calculations point towards a significant interaction between the two states which are themselves subject to Jahn-Teller couplings. The