| ArH+基态的势能函数与光谱常数 |
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| 引用本文： | 朱吉亮,任廷琦,王庆美.ArH+基态的势能函数与光谱常数[J].物理学报,2009,58(3):1544-1547. |
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| 作者姓名： | 朱吉亮 任廷琦 王庆美 |
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| 作者单位： | 曲阜师范大学物理工程学院,曲阜 273165 |
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| 基金项目： | 国家自然科学基金（批准号：10404030）资助的课题. |
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| 摘 要： | 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.
关键词：
+')" href="#">ArH+
Murrell-Sorbie函数
势能函数
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| 关 键 词： | ArH+ Murrell-Sorbie函数 势能函数 |
| 收稿时间： | 2008-05-12 |
| 修稿时间： | 8/1/2008 12:00:00 AM |
Spectroscopic parameters and potential energy function of the ground state of ArH |
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| Zhu Ji-Liang,Ren Ting-Qi,Wang Qing-Mei.Spectroscopic parameters and potential energy function of the ground state of ArH[J].Acta Physica Sinica,2009,58(3):1544-1547. |
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| Authors: | Zhu Ji-Liang Ren Ting-Qi Wang Qing-Mei |
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| Abstract: | 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. |
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| Keywords: | ArH |
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