✦ LIBER ✦

The low-lying electronic states of LiB

✍ Scribed by Alessandra Ricca; Charles W. Bauschlicher Jr.

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 464 KB
Volume: 241
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00626-f

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✦ Synopsis

The spectroscopic constants for the triplet and singlet states of LiB below about 30000 cm-~ are determined using an intemally contracted multireference configuration-interaction approach. The ground state is 311 as found in previous work. Transitions between the 311 state and the (1)3E-, (2)3II, and (3)31-1 states are studied in detail. The (1)3~-state is lowlying and may be hard to observe in many experimental approaches. The (2)3I1 and (3)311 states have bond lengths that are significantly longer than the ground state, resulting in transition intensities that are spread out over many vibrational levels of the ground state.

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