Cl_2^-,O_2^-和N_2^-的势能函数研究

The Potential Energy Function for C_2^-,O_2^- and N_2^-

本文采用从头计算的方法对Cl2-,N2-和O2-的势能函数进行了数值计算,采用最小二乘法拟合出了Murrell-Sorbie势能函数的参数,并根据拟合出的参数值求出力常数和光谱数据。

The potential energy function of Cl^-_2,O^-_2,and N^-_2 is calculated by the using ab initio calculation,and the parameters of Murrell-Sorbie potential function are obtained by the least-square fit.Based on these fitted parameters,the force constants and spectrum data are derived.