确定SQM力场标度因子的新方法

A NEW METHOD TO DETERMINE THE SCALED FACTORS OF SQM FORCE FIELD

建立了一种计算ＳＱＭ力场标度因子的新方法，它具有简捷、精确、且不依赖于实验信息的特点，改善了ＳＱＭ方法。将其在Ａｂｉｎｉｔｉｏ水平上计算的力常数用于振动分析，所得计算频率与观测频率十分吻合。

In this paper,We set up a new method to calculate the scaled factors of SQM force field.Compared with SQM Method. this method is mote simple, and it is accurate and isn't dependent on experimental data. The force fields obtained in this paper are applied to the analyses of molecular normal vibrations, and the results are very satisfactory.