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Citation: Wang Sheng-Long, Qu Jun-Yan, Guo Rui, Zhao Xin-Sheng. Ab Initio Potential Curve for ArH^＋[J]. Acta Physico-Chimica Sinica, ;2001, 17(04): 289-291. doi: 10.3866/PKU.WHXB20010401 shu

Ab Initio Potential Curve for ArH^＋

1.
State Key Laboratory of Molecular Dynamic and Stable Structures,and Institute of Physical Chemistry,Peking University,Beijing　100871

Received Date: 5 January 2001
Available Online: 15 April 2001

The molecular parameters of ArH＋ have been calculated with different quantum chemistry methods and basis sets.Based on the data from QCISD/AugccpVTZ ab initio calculation for different configurations of ArH＋ and the experimental data,an accurate potential curve for ArH＋ has been constructed.The molecular properties,such as dissociation energy,equilibrium bond length,and vibrational energy levels,can be accurately reproduced.
- ArH^＋;Potential energy surface;Ab initio calculation
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Ab Initio Potential Curve for ArH^＋