Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (1): 56-59. Previous Articles     Next Articles

Original Articles

构造SO~2分子势能面的李代数方法

郑雨军;丁世良   

  1. 山东大学理论化学研究室.济南(250100)
  • 发布日期:2000-01-15

Constracting potential energy surface of SO~2using lie algebra

Zheng Yujun;Ding Shiliang   

  1. Shandong Univ, Theoret Chem Lab.Jinan(250100)
  • Published:2000-01-15

Algebraic Hamiltonian of SO~2 molecule is classified using coherent state. The potential energy surface is derived from classical Hamiltonian. We proposed a new transformation for introducing the bond angle to the potential energy surface. We calculated the force constants and dissociation energy using this potential energy surface, and create the surface figure and its contour. These results are in good agreement with previous results. This method can be easily extended to polyatomic molecules.

Key words: SULFUR DIOXIDE, POTENTIAL ENERGY SURFACES, LIE ALGEBRA, VIBRATIONAL STATE, EXCITED STATE

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