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The electron affinity of NH2: a restricted active-space SCF multi-reference CI study

✍ Scribed by Manuela Merchán; Björn O. Roos


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
580 KB
Volume
184
Category
Article
ISSN
0009-2614

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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