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Structure and potential energy function of the ground state of OH(D) and SH(D)

Zhu Ji-Liang Ren Ting-Qi Wang Qing-Mei

Structure and potential energy function of the ground state of OH(D) and SH(D)

Zhu Ji-Liang, Ren Ting-Qi, Wang Qing-Mei
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  • Abstract views:  3105
  • PDF Downloads:  827
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Publishing process
  • Received Date:  10 April 2008
  • Accepted Date:  11 September 2008
  • Published Online:  20 May 2009

Structure and potential energy function of the ground state of OH(D) and SH(D)

  • 1. 曲阜师范大学物理工程学院,曲阜 273165

Abstract: The structure and dissociation energy of the ground state of OH and SH are calculated using QCISD(T)/6-311++G(3df,2pd) method and QCISD(T)/ 6-311++G(3df,2pd). Based on the theory of atomic and molecular statics, the reasonable dissociation limit for the ground state (X2Π) of OH is derived. The potential energy curve and relevant optical constants of this state are obtained by least square fitting to the Murrell-Sorbie function. All calculation results are in good agreement with the experimental data.

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