摘要
Potential energies of LiS（^2∏）, LiS-（^1E＋） and LiS＋ （^3E-） are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent basis sets aug-cc-PV（X＋d）Z （X=T, Q）. Such obtained potential energies are subsequently extrapolated to the complete basis set limit. Both the core-valence correction and the relativistic effect are also considered. The analytical potential energy functions are then obtained by fitting such accurate energies utilizing a least-squares fitting procedure. By using such analytical potential energy functions, we obtain the accurate spectroscopic parameters, complete set of vibrational levels and classical turning points. The present results are compared well with the experimental and other theoretical work.
基金
This work was supported by the National Natural Science Foundation of China （No.11304185）, Taishan scholar project of Shandong Province, China Postdoctoral Science Foundation （No.2014M561957）, and Post-doctoral Innovation Project of Shandong Province （No.201402013）, Shandong Provincial Natural Science Foundation （No.ZR2014AM022）. The authors gratefully acknowledge Dr. S. Li for useful discussion in this work.
