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题名: Theoretical study of the potential energy curves for the Ca-Ar and Sr-Ar systems
作者: Zhu, RS;  Han, KL;  Huang, JH;  Zhan, JP;  He, GZ
刊名: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
发表日期: 1998-09-01
卷: 71, 期:9, 页:2051-2054
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 X(1)Sigma ground state and the low-lying (1,3)Sigma, (1,3)Pi excited states of the Ca-Ar and Sr-Ar systems have been studied using pseudopotentials at MCSCF(CASSCF)-SDCI level. The results indicate that the (1,3)Sigma excited states are essentially repulsive, but the X(1)Sigma ground state and the (1,3)Pi excited states have shallow potential minima at large equilibrium distance (R-e) values. Spectroscopic constants of the X(1)Sigma ground state and the (1,3)Pi excited states have been calculated and compared to those obtained by experiment.
关键词[WOS]: SPECTROSCOPIC CHARACTERIZATION ;  INTERATOMIC POTENTIALS ;  VANDERWAALS COMPLEXES ;  STATES ;  TRANSITIONS ;  COLLISIONS ;  MOLECULE ;  ATOMS ;  CONSTANTS ;  ALAR
语种: 英语
WOS记录号: WOS:000076419100003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138515
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhu, RS,Han, KL,Huang, JH,et al. Theoretical study of the potential energy curves for the Ca-Ar and Sr-Ar systems[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,1998,71(9):2051-2054.
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