Chinese Optics Letters, 2008, 6 (5): 313, Published Online: May. 20, 2008
Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule Download: 947次
AsP分子 激发态 势能曲线 解析势能函数 光谱常数 020.0020 Atomic and molecular physics 300.6390 Spectroscopy, molecular 300.6360 Spectroscopy, laser 300.6210 Spectroscopy, atomic
Abstract
Nine low-lying electronic states of the AsP molecule, including \Sigma+, \Pi, and \Delta symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method. The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present. Three quintet states are reported for the first time. Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.
Ling Zhang, Chuanlu Yang, Tingqi Ren, Meishan Wang. Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule[J]. Chinese Optics Letters, 2008, 6(5): 313.