Abstract This paper calculates the potential energy curves (PECs) of the ground state (X1$\varSigma$+) and excited state (A1$\varSigma$+) of ScN molecule by multireference configuration interaction method. The correct character of the PECs has been gripped while they had been improperly reported in the literature. Based on the PECs, the spectroscopic parameters and vibrational energy levels are determined, and compared with experimental data and other theoretical works available at the present.
Received: 07 April 2008
Revised: 08 September 2008
Accepted manuscript online:
PACS:
31.50.Bc
(Potential energy surfaces for ground electronic states)
Fund: Project supported by the National
Natural Science Foundation of China (Grant No 10674114).
Cite this article:
Bai Feng-Juan(白凤娟), Yang Chuan-Lu(杨传路), Qian Qi(钱琪), and Zhang Ling(张玲) The theoretical character of the X1$\varSigma$+ and A1$\varSigma$+ states of ScN 2009 Chin. Phys. B 18 549
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