A Precise Description of the Electronic Structures and Spin-Allowed Transition Properties of PF and Its Cation： All-Electron Configuration-Interaction Investigations Including Relativistic Effect

The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, and the Davidson correction（q-Q） are also considered. The spectroscopic parameters of...

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Bibliographic Details
Published in:Chinese physics letters 2015-07, Vol.32 (7), p.42-46
Main Author: 李奇楠 赵书涛 张晓美 罗旺 李瑞 闫冰
Format: Article
Language:English
Subjects:
Cations
Dipole moment
Electronic structure
Mathematical analysis
Radiative lifetime
Relativistic effects
Scalars
Spectroscopy
性质
电子结构
相对论效应
组态相互作用
耦合效应
自旋轨道
跃迁偶极矩
阳离子
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Summary:The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, and the Davidson correction（q-Q） are also considered. The spectroscopic parameters of bound states are derived by the electronic structures of PF and PF＋, which are in good accordance with the measurements. The transition dipole moments of spin-allowed transitions are evaluated, and the radiative lifetimes of several A S states of PF and PF＋ are obtained.
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/32/7/073103