Accurate spectroscopic calculations of the 21 Λ-S states and 42 Ω states of the SiB radical

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• 作者：Wei Xing^a ; ^b ; Deheng Shi^a ; ^{scattering@sina.com.cn} ; ^{dh_shi@htu.cn} ; Jinfeng Sun^a ; Zunlue Zhu^a
• 关键词：Potential energy curve ; Spectroscopic parameter ; Core-valence correlation correction ; Spin- orbit coupling ; Vibrational properties ; Scalar relativistic correction
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：173
• 期：Complete
• 页码：939-949
• 全文大小：1252 K
• 卷排序：173

文摘

Core-valence correlation and scalar relativistic corrections are included. Spectroscopic parameters of 21 Λ-S states and 42 Ω states are obtained. SOC effect on the spectroscopic parameters is discussed. Vibrational properties of some states are evaluated.