Park Su Jin, Suh Sung Won, Lee Yoon Sup, Jeung Gwang-Hi
Department of Chemistry and School of Molecular Science (BK21), Korea Advanced Institute of Science and Technology, Taejon, 305-701, South Korea
J Mol Spectrosc. 2001 Jun;207(2):129-135. doi: 10.1006/jmsp.2001.8337.
We have calculated the electronic states of Rb(2) by multireference configuration interactions using the averaged relativistic effective small-core potential and the core-polarization potential. The potential energy curves for a large number of states dissociating into from 5s+5s up to 7s+5s asymptotic limits are calculated and the spectroscopic constants are reported. The spin-orbit effects for the states dissociating into 5p+5s and 4d+5s are calculated using the effective spin-orbit potential. The results are compared with available experimental data and other theoretical works. Copyright 2001 Academic Press.
我们利用平均相对论有效小核势和芯极化势，通过多参考组态相互作用计算了Rb(2)的电子态。计算了大量解离至从5s+5s到7s+5s渐近极限的态的势能曲线，并报告了光谱常数。利用有效自旋轨道势计算了解离至5p+5s和4d+5s的态的自旋轨道效应。将结果与现有的实验数据和其他理论工作进行了比较。版权所有2001年学术出版社。
