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 inChinese physics letters Vol. 32; no. 7; pp. 42 - 46
Main Author 李奇楠 赵书涛 张晓美 罗旺 李瑞 闫冰
Format Journal Article
LanguageEnglish
Published 01.07.2015
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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ISSN0256-307X
1741-3540
DOI10.1088/0256-307X/32/7/073103

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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.
Bibliography:LI Qi-Nan, ZHAO Shu-Tao, ZHANG Xiao-Mei, LUO Wang, LI Rui, YAN Bing（ 1 Department of Physics, College of Science, Qiqihar University, Qiqihar 161006 2School of Physics and Electronic Science, Fuyang Normal College, Fayang 236037 3Institute of Atomic and Molecular Phvsics, Jilin University, Changchun 130012 4 Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy, Jilin University, Changchun 130012）
11-1959/O4
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.
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ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/32/7/073103