双原子分子振动光谱常数的拟合

THE FITTING OF THE DIATOMIC MOLECULES VIBRATION CONSTANTS

简单介绍双原子分子光谱理论,考虑到双原子分子光谱的特点,采用最小二乘法解决实验数据的拟合问题.并对用LDLT分解法,GAUSS列主元消去法所得的运算结果进行了对比.

Briefly introduced the spectroscopy theory of diatomic molecule, considering about the characters of diatomic molecular spectrum data, we used least-squares method to resolve the problem of the experiment data fitting, and made comparison with the results produced by LDTT and GAUSS method.