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Energy component analysis of the Jahn–Teller effect in the methane radical cation

✍ Scribed by Boyd, Russell J.; Darvesh, Katherine Valenta; Fricker, Paul D.


Book ID
125432931
Publisher
American Institute of Physics
Year
1991
Tongue
English
Weight
572 KB
Volume
94
Category
Article
ISSN
0021-9606

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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