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Pseudo Jahn–Teller origin of puckering in , , and dications

✍ Scribed by Liu, Yang; Bersuker, Isaac B.; Boggs, James E.


Book ID
122649034
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
628 KB
Volume
417
Category
Article
ISSN
0301-0104

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Combined Jahn—Teller and pseudo-Jahn—Tel
✍ 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