物理化学学报 >> 1996, Vol. 12 >> Issue (06): 555-559.doi: 10.3866/PKU.WHXB19960616

研究简报 上一篇    下一篇

三原子分子振动光谱的相互作用模式计算

许宗荣,高艳玲   

  1. 四川联合大学西区原子分子科学所,成都 610065
  • 收稿日期:1995-09-18 修回日期:1995-12-04 发布日期:1996-06-15
  • 通讯作者: 许宗荣

Calculation of Vibrational Spectroscopy for Tri-atomic Molecules Using Interaction Model

Xu Zong-Rong,Gao Yan-Ling   

  1. Institute of Atomic and Molecular Sciences,Sichuan Union University,Chengdu 610065
  • Received:1995-09-18 Revised:1995-12-04 Published:1996-06-15
  • Contact: Xu Zong-Rong

关键词: 振动光谱, 相互作用模式, 振动激发态

Abstract:

Using the quantum self-trapping theory, the interaction model (IM) for calculation of vebrational spectroscopy for tri-atomic molecules has been devoloped, and the results for 16O3, 18 O3, SO2, HCN and DCN are in good agreement with the experirnental data. It shows that this method is superior to the NM and LM methods, and it is applicable to the calculation of high-excited vibrational states especially.

Key words: Vibrational spectroscopy, Interacton model(IM), Vibrationally excited state