中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Theoretical study on the scattering resonance states for I+HI(v=0)-> IH(v '=0)+I system

文献类型:期刊论文

作者Sun, XM; Wang, HY; Cai, ZT; Feng, DC; Bian, WS
刊名chemical journal of chinese universities-chinese
出版日期2004-09-01
卷号25期号:9页码:1702-1705
关键词heavy-light-heavy system partial potential energy surface scattering resonance states ab initio
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.
WOS标题词science & technology ; physical sciences
类目[WOS]chemistry, multidisciplinary
研究领域[WOS]chemistry
关键词[WOS]oscillatory behavior ; spectroscopy ; probability ; collision ; region ; cl
收录类别SCI
语种英语
WOS记录号WOS:000224014600029
公开日期2015-11-10
源URL[http://159.226.238.44/handle/321008/139529]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
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
推荐引用方式
GB/T 7714
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.
APA Sun, XM,Wang, HY,Cai, ZT,Feng, DC,&Bian, WS.(2004).Theoretical study on the scattering resonance states for I+HI(v=0)-> IH(v '=0)+I system.chemical journal of chinese universities-chinese,25(9),1702-1705.
MLA Sun, XM,et al."Theoretical study on the scattering resonance states for I+HI(v=0)-> IH(v '=0)+I system".chemical journal of chinese universities-chinese 25.9(2004):1702-1705.

入库方式: OAI收割

来源:大连化学物理研究所

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