| 双原子分子在改进的Morse势下的振动一转动问题 |
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| 引用本文： | 刘文剑,邓从豪.双原子分子在改进的Morse势下的振动一转动问题[J].山东大学学报(理学版),1993(3). |
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| 作者姓名： | 刘文剑 邓从豪 |
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| 作者单位： | 山东大学化学院理论化学研究室，山东大学化学院理论化学研究室 |
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| 摘 要： | 本文用改进的Morse势(邓从豪势)计算双原子分子振动—转动能谱,邓势所用参数与Morse势相同,但当原子间距离越近于零时,其值趋于无穷大,更接近双原子分子的真实情况,本文将离心能近似展开后,得到邓势下的双原子分子的振动一转动本征方程的近似解(l=0时为严格解)将所得能量表达式与Dunham经验展开式的实例分子常数及其他理论结果比较,表明本文结果令人满意。
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| 关 键 词： | 改进的Morse势 双原子分子 振动—转动 |
THE VIBRATION-ROTATIONAL EIGEN-PROBLEM FOR DIATOMIC MOLECULES UNDER THE IMPROVED MORSE POTENTIAL ENERGY FUNCTION |
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| Liu Wenjian,Deng Conghao Inst. of Theoretical Chem.,Shandong Univ.,Jinan.THE VIBRATION-ROTATIONAL EIGEN-PROBLEM FOR DIATOMIC MOLECULES UNDER THE IMPROVED MORSE POTENTIAL ENERGY FUNCTION[J].Journal of Shandong University,1993(3). |
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| Authors: | Liu Wenjian Deng Conghao Inst of Theoretical Chem Shandong Univ Jinan |
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| Abstract: | It was exactly solved that the vibration-rotational equations for the corresponding di-atomic molecules under the improved Morse potential energy function, after the centrifugal potential energy was approximately expanded. Then some molecular constants corresponding to the Dunham series were calculated. The comparison of the present results with the exper-imental and other theoretical results showed that the present results are satisfactory. |
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| Keywords: | Morse potential diatomic molecule vibration-rotation |
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