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.
Received: 22 September 2007
Revised: 19 October 2007
Accepted manuscript online:
PACS:
31.50.Df
(Potential energy surfaces for excited electronic states)
Fund: Project supported
by the National Natural Science Foundation of
China (Grant No 10376022).
Cite this article:
Li Gui-Xia(李桂霞), Gao Tao(高涛), and Zhang Yun-Guang(张云光) The splitting of low-lying or low excited states for hydride molecules (cations) of the third period under spin-orbit coupling 2008 Chin. Phys. B 17 2040
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