Theoretical study of the electronic structure with dipole moment calculations of barium monofluoride
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- 作者：Samir N. Tohme ; Mahmoud Korek ; fkorek@yahoo.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ab initio calculation ; Electronic structure ; Spectroscopic constants ; Permanent and transition dipole moment ; Dipole polarizability ; Vibration-rotation calculation
- 刊名：Journal of Quantitative Spectroscopy and Radiative Transfer
- 出版年：2015
- 出版时间：December 2015
- 年：2015
- 卷：167
- 期：Complete
- 页码：82-96
- 全文大小：2069 K
文摘
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We report 41 molecular states for the BaF molecule.
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The spectroscopic constants have been calculated for the 41 low-lying states.
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A ro-vibrational study have been performed up to the vibrational level v=98.
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The permanent dipole moments have been investigated for 39 electronic states.
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We present 25 new low-lying doublet and quartet excited states.