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采用（QCISD(T)/Aug-CC-pVTZ方法计算优化了ArH+离子基态X1∑+的离子结构和离解能.并用最小二乘法拟合Murrell-Sorbie函数得出相应的势能函数表达方式，由此计算的振转常数与实验光谱数据符合得很好.
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关键词:
- ArH+ /
- Murrell-Sorbie函数 /
- 势能函数
The structure and dissociation energy of the ground state of ArH+ are calculated using QCISD（T）/ Aug-CC-pVTZ method. Based on the theory of atomic and molecular statics，the reasonable dissociation limit for the ground state （1Σ+） of ArH+ is derived. The potential energy curve and relevant optical constants of this state are obtained by least square fitting to the Murrell-Sorbie function. All calculation results are in good agreement with the experimental data.-
Keywords:
- ArH+ /
- Murrell-Sorbie function /
- potential energy function
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