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The structure of BO2 in its ground and low-lying excited states from ab initio SCF RHF AND CI calculations

✍ Scribed by Pál Császár; Walter Kosmus; Yurii N. Panchenko

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
446 KB
Volume
129
Category
Article
ISSN
0009-2614

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✦ Synopsis

Potential curves for the X 2~g, A 2~u, B 2 C: and C 2x; electronic states of BO2 were calculated at ab initio SCF RHF and confiiuration Interaction (CI) level. The results obtained are consistent with a linear molecular model for all states considered. The calculated structural parameters and transition energies are in good agreement with relevant experimental data.

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