aSchool of Sciences, Guizhou Normal University, Guiyang 550001, China; b Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
AbstractThe splitting of potential energy levels for ground state X2$\Pi$g of O2x(x=+1, -1) under spin--orbit coupling (SOC) has been calculated by using the spin--orbit (SO) multi-configuration quasi-degenerate perturbation theory (SO-MCQDPT). Their Murrell--Sorbie (M--S) potential functions are gained, and then the spectroscopic constants for electronic states 2$\Pi$1/2 and 2$\Pi$3/2are derived from the M--S function. The vertical excitation energies for O2x(x=+1, -1) are $\nu$ [O2+1 (2$\Pi$3/2 → X2$\Pi$1/2)]=195.652cm-1, and $\nu$ [O2-1(2$\Pi$1/2 → X2$\Pi$3/2 )]=182.568cm-1, respectively. All the spectroscopic data for electronic states 2$\Pi$1/2 and 2$\Pi$3/2 are given for the first time.
Received: 31 May 2007
Revised: 12 October 2007
Accepted manuscript online:
PACS:
31.50.Bc
(Potential energy surfaces for ground electronic states)
(Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions)
Fund: Project supported by the National
Natural Science Foundation of China (Grant Nos 10574096 and
10676025), the Specialized Research Fund for the Doctoral Program of
Higher Education of China (Grant No 20050610010), and the Scientific
Research Foundation of
Cite this article:
Lü Bing(吕兵), Linghu Rong-Feng(令狐荣锋), Zhou Xun(周勋), Yang Xiang-Dong(杨向东), Zhu Zheng-He(朱正和), and Cheng Xin-Lu(程新路) Analytical potential energy function for the electronic states 2П1/2 and 2П3/2 of O2x(x=+1, --1) 2008 Chin. Phys. B 17 1738
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