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Citation: Xu Zong-Rong, Gao Yan-Ling. Calculation of Vibrational Spectroscopy for Tri-atomic Molecules Using Interaction Model[J]. Acta Physico-Chimica Sinica, ;1996, 12(06): 555-559. doi: 10.3866/PKU.WHXB19960616 shu

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

1.
Institute of Atomic and Molecular Sciences,Sichuan Union University,Chengdu 610065

Received Date: 18 September 1995
Available Online: 15 June 1996

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 od 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.
- Vibrational spectroscopy,
- Interacton model(IM),
- Vibrationally excited state
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