| The splitting of low-lying or low excited states for hydride molecules （cations） of the third period under spin-orbit coupling |
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| 引用本文： | 李桂霞,高涛,张云光.The splitting of low-lying or low excited states for hydride molecules （cations） of the third period under spin-orbit coupling[J].中国物理 B,2008,17(6):2040-2047. |
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| 作者姓名： | 李桂霞 高涛 张云光 |
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| 作者单位： | Qingdao Agriculture University, Qingdao
266109, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China |
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| 基金项目： | Project supported
by the National Natural Science Foundation of
China (Grant No 10376022). |
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| 摘 要： | This paper reports that the splitting of potential energy curves for the low-lying or low excited states for hydride molecules （cations） （MgH, AlH^＋, SiH, PH^＋, SH,ClH^＋） of the third period under Spin-Orbit Coupling has been calculated by using the Spin-Orbit Multi-Configuration Quasi-Degenerate Perturbation Theory （SO-MCQDPT） method. Then, spectroscopic constants of the split states have been derived from the Murrell-Sorbie function. The calculated dissociation energies for the spectrum branch terms have been given, respectively. The spectroscopic constants and dissociation energies for the spectrum branch terms are given for the first time in this paper.
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| 关 键 词： | SOC 氢化物 分光镜常量 SO-MCQDPT方法 |
| 收稿时间： | 2007-09-22 |
The splitting of low-lying or low excited states for hydride molecules (cations) of the third period under spin-orbit coupling |
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| Li Gui-Xi,Gao Tao and Zhang Yun-Guang.The splitting of low-lying or low excited states for hydride molecules (cations) of the third period under spin-orbit coupling[J].Chinese Physics B,2008,17(6):2040-2047. |
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| Authors: | Li Gui-Xi Gao Tao and Zhang Yun-Guang |
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| Institution: | Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China; Qingdao Agriculture University, Qingdao
266109, China |
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| Abstract: | This paper reports that the splitting of potential energy curves for
the low-lying or low excited states for hydride molecules (cations)
(MgH, AlH+, SiH, PH+, SH,ClH+ of the third
period under Spin-Orbit Coupling has been calculated by using the
Spin-Orbit Multi-Configuration Quasi-Degenerate Perturbation Theory
(SO-MCQDPT) method. Then, spectroscopic constants of the split states
have been derived from the Murrell--Sorbie function. The calculated
dissociation energies for the spectrum branch terms have been given,
respectively. The spectroscopic constants and dissociation energies
for the spectrum branch terms are given for the first time in this
paper. |
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| Keywords: | SOC hydrides spectroscopic constants SO-MCQDPT method |
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