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Theoretical study of the low-lying bound states of O2

โœ Scribed by Partridge, Harry; Bauschlicher, Charles W.; Langhoff, Stephen R.; Taylor, Peter R.


Book ID
120273734
Publisher
American Institute of Physics
Year
1991
Tongue
English
Weight
998 KB
Volume
95
Category
Article
ISSN
0021-9606

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Ab initio CI calculations have been performed for the X \* Z', A \*R, and B' \*Z\* states of MgH, correlating ordy the three valence electrons. This procedure is found to give good agreement with experimental data. In particular, we fmd that the B' state is w&ly bound with re = 4.9 au and exhibits s