Theoretical description of the low-lying electronic states of LuBr located below 41,700 cm⁻¹

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• 作者：Joumana Assaf^a ; ^c ; Fadia Taher^b ; Sylvie Magnier^a ; ^{Sylvie.Magnier@univ-lille1.fr}
• 关键词：Lutetium mono-halides ; spectroscopic data ; electronic structure ; spin-orbit effects
• 刊名：Journal of Quantitative Spectroscopy and Radiative Transfer
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：189
• 期：Complete
• 页码：421-427
• 全文大小：1731 K
• 卷排序：189

文摘

Quantum Chemistry calculations on the electronic structure of LuBr are presented. The spin-orbit coupling has been included. Potential energy curves and spectroscopic constants are presented for 21 2S+1Λ(+/-) molecular states (without the spin-orbit coupling) and for 42 Ω(±) states (with the spin-orbit coupling).