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题名: Theoretical study on the scattering resonance states for I+HI(v=0)-> IH(v '=0)+I system
作者: Sun, XM;  Wang, HY;  Cai, ZT;  Feng, DC;  Bian, WS
关键词: heavy-light-heavy system ;  partial potential energy surface ;  scattering resonance states ;  ab initio
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
发表日期: 2004-09-01
卷: 25, 期:9, 页:1702-1705
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: The ab initio partial potential energy surface is calculated on QCISD(T)//MP2 level for heavy-light-heavy I+HI(v=0)-->IH(v'=0)+I system. For H and I atom, 6-311+ +G** basis set and SDD basis set including the relativistic effect are used separately. The scattering resonance states are found for the title system and the six scattering resonance states are identified as the Feshbach type in the. collision energy range from 0 to 0.58 eV which are compared with the theoretical results of quantum. scattering and the experimental ones of threshold photodetachment spectroscopy. The partial potential energy surface can reveal effectively the mechanism of the scattering resonance states formation.
关键词[WOS]: OSCILLATORY BEHAVIOR ;  SPECTROSCOPY ;  PROBABILITY ;  COLLISION ;  REGION ;  CL
语种: 英语
WOS记录号: WOS:000224014600029
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139529
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Sun, XM,Wang, HY,Cai, ZT,et al. Theoretical study on the scattering resonance states for I+HI(v=0)-> IH(v '=0)+I system[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2004,25(9):1702-1705.
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