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Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule
Authors:Ling Zhang  Chuanlu Yang  Tingqi Ren  Meishan Wang
Abstract:Nine low-lying electronic states of the AsP molecule, including Σ , Ⅱ, and △ 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.
Keywords:molecule  states  configuration interaction  analytical  potential energy curves  functions  least square  fitting method  time  experimental  data  theoretical  works  available  present  spectroscopic constants  spin  multiplicities  triplet  symmetries
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