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Murrell-Sorbie势能参数与双原子分子光谱数据的关系

发表时间:2009-02-15  浏览量:1732  下载量:804
全部作者: 盛晓伟,余春日,李萍
作者单位: 四川大学原子与分子物理研究所;安庆师范学院物理与电气工程学院
摘 要: 导出了Murrell-Sorbie势能参数与双原子分子光谱数据的关系。运用ab initio和非线性最小二乘法拟合,得到了分子的Murrell-Sorbie势能函数和势能参数;并由得到的势能参数计算了HF分子和HI分子的光谱数据,其计算结果与实验光谱数据符合较好。这对难以通过实验获得光谱数据的双原子分子和离子的动力学研究具有一定的参考价值。
关 键 词: 原子与分子物理;Murrell-Sorbie势;双原子分子;光谱数据
Title: The relation of Murrell-Sorbie potential parameters and spectrum data for diatomic molecules
Author: SHENG Xiaowei , YU Chunri, LI Ping
Organization: Institute of Atomic and Molecular Physics, Sichuan University; School of Physics and Electrical Engineering, Anqing Teachers College
Abstract: The relation of Murrell-Sorbie potential parameters and spectrum date for diatomic molecules is got. The parameters and analytic expression of Murrell-Sorbie potential for HF and HI molecules are got by using ab initio calculation and nonlinear least square method. Furthermore, the spectrum data for HF and HI molecules are calculated, which are in excellent agreement with existing experimental data. The study has reference value for the dynamics research of diatomic molecules and ions whose experimental spectrum data are difficult to get.
Key words: atomic and molecular physics; Murrell-Sorbie potential; diatomic molecules; spectrum data
发表期数: 2009年2月第3期
引用格式: 盛晓伟,余春日,李萍. Murrell-Sorbie势能参数与双原子分子光谱数据的关系[J]. 中国科技论文在线精品论文,2009,2(3):281-283.
 
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