| Potential energy curve study on the ^3Π electronic states of GaX （X=F,Cl, and Br） molecules |
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| 引用本文： | 曹云斌,杨传路,王美山,马晓光.Potential energy curve study on the ^3Π electronic states of GaX （X=F,Cl, and Br） molecules[J].中国物理 B,2013(12):221-224. |
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| 作者姓名： | 曹云斌 杨传路 王美山 马晓光 |
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| 作者单位： | School of Physics and Optoclectronics Engineering, Ludong University, Yantai 264025, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China(Grant Nos.11174117 and 10974078);the Program for Scientific Research Innova-tion Team in Colleges and Universities of Shandong Province,China |
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| 摘 要： | The potential energy curves （PECs） of the 3Π states of GaX （X=F, Cl, and Br） molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The PECs are accurately fitted to analytical potential energy functions （APEFs） using the Murrell–Sorbie potential function. The spectroscopic parameters for the states are determined using the obtained APEFs, and compared with the theoretical and experimental data available presently in the literature.
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| 关 键 词： | 势能曲线 分子 Br Cl 电子态 分析势能函数 组态相互作用 光谱参数 |
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