The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the (1)Σ(u)(+) states of Li(2) by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potential energy curves, providing an important application for high resolution laser spectroscopy. The spectroscopic constants for the 4 and 5 (1)Σ(u)(+) states are obtained for the first time.
Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2).
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作者:Ahn Furudate Michiko, Hagebaum-Reignier Denis, Kim Jin-Tae, Jeung Gwang-Hi
| 期刊: | Molecules | 影响因子: | 4.600 |
| 时间: | 2022 | 起止号: | 2022 May 30; 27(11):3514 |
| doi: | 10.3390/molecules27113514 | ||
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