摘要
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，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。用该波函数编程计算了ＢＮ分子Ａ３Π－Ｘ３Π辐射带系及ＢＨ分子Ａ１Π－Ｘ１∑＋带系的Ｆｒａｎｃｋ—Ｃｏｎｄｏｎ因子。计算中转动量子数取值由Ｊ＝０至Ｊ＝１８０，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—rotational interaction term involved in it, under the Morse potential approximation, it derives the wavefunction relevant not only with vibrational quantum number, but also with rotational one. The Franck—Condon factors of the two band systems A 3Π-X 3Π of BN and A 1Π—X 1∑ + of BH are calculated by use of the derived wavefunction. In the calculation, the rotational quantum number ranges from J=0 to J =180. The results obtained can be used in the cases under low—or high—temperature condition and also under the condition of strong shock wave.
出处
《计算物理》
CSCD
北大核心
1998年第3期90-94,共5页
Chinese Journal of Computational Physics
基金
云南省科委应用基础研究基金
