BS分子α带系A^2Π→X^2Σ^+及γ带系C^2Π→X^2Σ^+法兰克-康登因子的计算

The Calculation for Franck Condon Factors of the α Band System A 2Π→X 2Σ + and the γ Band System C 2Π→X 2Σ + of BS Molecule

在双原子分子核运动的薛定谔方程中，计入分子的振转相互作用项，在Ｍｏｒｓｅ势近似下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。本文用该波函数编程计算了ＢＳ分子α带系Ａ２Π→Ｘ２Σ＋及γ带系Ｃ２Π→Ｘ２Σ＋法兰克－康登（Ｆｒａｎｃｋ－Ｃｏｎｄｏｎ）因子（简称Ｆ－Ｃ因子）。计算中转动量子数的取值由Ｊ＝０至Ｊ＝２００，其结果适用于低温、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, under the Morse potential approximation, we derived the wavefunction relevant not only with vibrational quantum number, but also with rotational one. The Franck Condon factors of the α band system A 2Π→X 2Σ + and the γ band system C 2Π→X 2Σ + of BS molecule are calculated by using 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 also the condition of strong shock wave.