| 光谱学与光谱分析 |
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| Studies on the Analytical Potential Energies for Partial Electronic States of Li2 with Variational Algebraic Energy Consistent Method |
| ZHANG Chun-guo1, FAN Qun-chao1*, SUN Wei-guo1, 2, FAN Zhi-xiang2, ZHANG Yi2 |
1. School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China
2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China |
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Abstract The full vibrational spectra especially those high-lying vibrational energies in the dissociation region of four specific electronic states 13Δg, 33Σ+g, 13Σ-g and b3Πu have been obtained by using the improved variational algebraic method (VAM). The analytical potential energy functions (APEFs) of these electronic states are also determined with corresponding adjustable parameter λ by using the variational algebraic energy consistent method (VAECM) based on the VAM vibrational spectra. The full vibrational energies, vibrational spectroscopic constants, force constants fn, and expansion coefficients an of the VAECM potential are also tabulated for each electronic state in this study. The results show that the VAECM analytical potentials are superior to some other widely used analytical ones, and do not have the unphysical tiny barriers existing in the precious AECM potentials.
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Received: 2015-09-29
Accepted: 2016-02-08
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Corresponding Authors:
FAN Qun-chao
E-mail: fanqunchao@mail.xhu.edu.cn
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