Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (06): 555-559.doi: 10.3866/PKU.WHXB19960616

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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

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