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The potential energy curve for the B1IIu state of Li2 |
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| Authors: | Mark L. Olson Daniel D. Konowalow |
| Affiliation: | Department of Chemistry, State University of New York, Binghamton, New York 13901, USA |
| Abstract: | Multiconfiguration self-consistent field calculations of the potential curve for the B1Πu state of Li2 show a 700 cm?1 high hump at 5.365 Å in good agreement with experimental estimates of 930 ± 300 cm?1 and 523 ± 50 cm?1. |
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