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Quasirelativistic potential energy curves and transition dipole moments of NaRb
Chemical Physics ( IF 2.0 ) Pub Date : 2017-10-21 , DOI: 10.1016/j.chemphys.2017.10.005
M. Wiatr , P. Jasik , T. Kilich , J.E. Sienkiewicz , H. Stoll

We report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s2S1/2)+Rb(7s2S1/2) atomic limit. Several new features of the potential energy curves have been found.

中文翻译:

NaRb的相对论势能曲线和跃迁偶极矩

我们报道了准相对论势能曲线的大量计算,并且首次报道了过渡偶极矩,包括NaRb分子的自旋轨道和标量相对论效应。0 +的计算曲线0 -,1、2和3的分子状态与大的核间分离相关,且直至Na(3 s 2)的原子序数最低的十四1/2)+ Rb(7 s 21/2)原子极限。已经发现势能曲线的几个新特征。
更新日期:2017-10-23
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