BN、BH分子辐射带系的Franck-Condon因子计算

CALCULATION FOR FRANCK-CONDON FACTORS OF THE RADIATION BAND SYSTEMS OF BN、BH MOLECULES

  • 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。

     

    Abstract: 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 A3Π-X3Π of BN and A1Π-X1+ 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.

     

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