BCl分子A^1∏-X^1∑^+带系的Franck-Condon因子计算

The Calculation for Franck-Condon Factors of the Band System A1∏-X1∑+ of BCl

在双原子分子核运动的波动方程中，计入分子的振转相互作用项，得出的波函数除与振动量子数有关外，还与转动量子数有关．作者用该波函数编程计算了ＢＣｌ分子Ａ１∏－Ｘ１∑＋带系的ＦｒａｎｃｋＣｏｎｄｏｎ因子．计算中转动量子数的取值由Ｊ＝０取至Ｊ＝２００，结果适用于低温、高温和强激波条件．

From the nuclear schrdinger equation of a diatomic molecule with the vibrationrotation interaction term involved in it,we derive the wavefunction relevant not only with vibrational quantum number,but also with rotational one.The FranckCondon factors of the band system A1∏-X1∑+ of BCl are calculated in this paper,by use of the derived wavefunction.In the calculation,the rotational quantum number J takes values from J=0 up to J=200.The results fit for low or high temperature condition and the condition of strong shock wave.