Ab initio calculation of the ground and first excited states of the lithium dimer
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Ab initio calculation of the ground and first excited states of the lithium dimer |
| JianJun Qi,YuYao Bai,QianQian Guo,Yong-Chang Han,Maksim B Shundalau |
| Figure 2. Ab initio points and fitting curves for the ${\rm{X}}{}^{{\rm{1}}}{\rm{\Sigma }}_{g}^{+}$ and ${\rm{A}}{}^{{\rm{1}}}{\rm{\Sigma }}_{u}^{+}$ states of Li2 under MRCI/AV5Z; Ea is the atomic excitation energy and Te is the adiabatic excitation energy. |
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