| 三原子分子振动光谱的相互作用模式计算 |
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| 引用本文： | 许宗荣,高艳玲. 三原子分子振动光谱的相互作用模式计算[J]. 物理化学学报, 1996, 12(6): 555-559. DOI: 10.3866/PKU.WHXB19960616 |
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| 作者姓名： | 许宗荣 高艳玲 |
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| 作者单位： | Institute of Atomic and Molecular Sciences,Sichuan Union University,Chengdu 610065 |
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| 摘 要： | ![]()
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| 关 键 词： | 振动光谱 相互作用模式 振动激发态 |
| 收稿时间： | 1995-09-18 |
| 修稿时间： | 1995-12-04 |
Calculation of Vibrational Spectroscopy for Tri-atomic Molecules Using Interaction Model |
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| Xu Zong-Rong,Gao Yan-Ling. Calculation of Vibrational Spectroscopy for Tri-atomic Molecules Using Interaction Model[J]. Acta Physico-Chimica Sinica, 1996, 12(6): 555-559. DOI: 10.3866/PKU.WHXB19960616 |
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| Authors: | Xu Zong-Rong Gao Yan-Ling |
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| Affiliation: | Institute of Atomic and Molecular Sciences,Sichuan Union University,Chengdu 610065 |
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| 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. |
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| Keywords: | Vibrational spectroscopy Interacton model(IM) Vibrationally excited state |
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