| 一种获取双原子分子的转动常数的方法 |
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| 引用本文： | 郭迎春,王珺,陈扬骎,杨晓华,刘煜炎.一种获取双原子分子的转动常数的方法[J].原子与分子物理学报,2004,21(4):725-728. |
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| 作者姓名： | 郭迎春 王珺 陈扬骎 杨晓华 刘煜炎 |
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| 作者单位： | 华东师范大学物理系,光谱学与波谱学教育部重点实验室,上海,200062 |
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| 基金项目： | 国家自然科学基金资助项目(10174020和10204007)与上海市重点学科资助项目 |
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| 摘 要： | 本文给出了对于任何双原子分子或双原子自由基分子,由其振动常数结合RKR方程、结合从头计算,获得势能曲线及其转动常数的方法.并对CN的基态和激发态进行了计算,结果与实验值符合得非常一致.A
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| 关 键 词： | 双原子分子 双原子自由基分子 转动常数 RKR方程 量化计算 |
| 文章编号： | 1000-0364(2004)04-0725-04 |
| 收稿时间： | 2003/12/29 |
A method of calculating rotational constants for diatomic molecule or radical by using its vibrational constantsx |
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| GUO Ying-chun,WANG Jun,CHEN Yang-qin,YANG Xiaohua,LIU Yu-yan.A method of calculating rotational constants for diatomic molecule or radical by using its vibrational constantsx[J].Journal of Atomic and Molecular Physics,2004,21(4):725-728. |
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| Authors: | GUO Ying-chun WANG Jun CHEN Yang-qin YANG Xiaohua LIU Yu-yan |
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| Abstract: | A method of calculating rotational constants for diatomic molecule or radical is given by using RKR equation involved only with its rotational constants and morse function approximation based on abinitio calculation or experiment. As an example, we calculate the rotational constants for the ground state and excited states of CN radical, the results obtained are consistent with the experimental results very well. |
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| Keywords: | Diatomic molecule Diatomic molecular radical Rotational constants RKR equation quantum calculation |
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