用诱导自洽方法计算振动力常数的程序

A PROGRAM FOR DETERMINATION OF MOLECULAR VIBRATIONAL FORCE CONSTANTS BY THE METHOD OF INDUCING TO SELF-CONSISTENCY

本文介绍用诱导自治方法计算振动力常数的程序，简单说明方法的原理，详细介绍程序的结构及功能，以及输入格式和输出结果。利用本程序可以根据振动光谱实验数据（振动基频，同位素频移，Ｃｏｒｉｏｌｉｓ偶合常数等）方便地计算出力常数。

In this paper a program for determination of molecular vibrational force constants by the method of inducing to self-consistency has been proposed.The principle of the method is briefly describled.The structure and function,as well as the input and output of the program is presented in detail.With the program the vibrational force constants can be calculated conveniently by use of the experimental spectra data such as the fundamental.vibrational frequencies,the isotope shift data and the Coriolis coupling coefficients.