The electronic ground state of the NeAr2
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Wolfram Koch; Gernot Frenking; Alberto Gobbi
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Article
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1993
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Elsevier Science
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English
β 446 KB
The lowest-lying electronic state of the NeA? dication, X 'Z+, has been investigated using accurate ab initio calculations of the complete active space SCF/multireference CI type employing large one-electron basis sets. A rather deep local minimum is found in the potential energy curve with a barrie