Combined Jahn—Teller and pseudo-Jahn—Tel
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R. Meiswinkel; H. Köppel
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Article
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1993
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Elsevier Science
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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