Doublet instability and the molecular st
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J. Rubio; J. M. Ricart; F. Illas
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Article
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1988
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John Wiley and Sons
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English
⚖ 768 KB
The possible C,, CZv, and C,, structures of A102 corresponding to the two lowest electronic states which dissociate into the neutral Al('P) and 02(3Xg-) fragments have been investigated at the ab initio selfconsistent field (SCF) and CI levels using nonempirical pseudopotentials. The most stable str