分子振转能谱中隐藏的物理意义

来源 :第五届全国计算原子与分子物理学术会议 | 被引量 : 0次 | 上传用户:zkl_2009
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研究简介使用我们新建立的研究双原子分子转动能级和振转相互作用能的转动代数方法(AMr),挖掘获得了隐藏在双原子分子实验振转能级子集合[EυJ] 中的分子纯转动能级{εJ }和分子振转相互作用能εintυJ,并研究了隐藏在εintυJ 中的物理意义.对H 35Cl-X1∑+态的振转能谱的研究表明:H 35Cl-X1∑+态的振转相互作用能εintυ J 在物理性质上是吸引的,并且正是该振转相互作用能使得双原子分子振转体系趋于稳定;另一方面,对于H 35Cl-X1∑+态的纯转动能εJ,非刚性转动部分(如离心畸变和其它高阶物理效应)的影响较大,它们对纯转动能εJ的贡献达到5%至10%.因此该电子态的离心畸变和其它高阶物理效应对分子转动的影响不可忽略.
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