摘要
使用Ｇａｕｓｉａｎ９２程序和ＣＩＤ／６—３１１Ｇ方法，计算了弱结合分子ＡｒＨＦ和ＫｒＨＦ的结构参数。得到ＡｒＨＦ的平衡基态为线型结构，ＫｒＨＦ的平衡基态为弯曲结构。
The molecular structure parameters have been calculated using gaussian 92 program with CID/6-113G * method.It is founad that the equilibrium geometry of ground state for ArHF is linear and KrHF is bent.
基金
国家自然科学基金
中国工程物理研究院基金
