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  • Received: Oct. 23, 2007

    Accepted: --

    Posted: May. 20, 2008

    Published Online: May. 20, 2008

    The Author Email: Chuanlu Yang (yangchuanlu@126.com)

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    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

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Chinese Optics Letters, Vol. 6, Issue 5, 313 (2008)

Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

Ling Zhang, Chuanlu Yang*, Tingqi Ren, and Meishan Wang

Author Affiliations

  • Department of Physics, Ludong University, Yantai 264025

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.

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