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Ab initio multi reference configuration interaction of the low lying states of t

上传者: 2021-03-07 07:08:26上传 PDF文件 275.31KB 热度 25次
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 an
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