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CALCULATION FOR FRANCK-CONDON FACTORS OF THE RADIATION BAND SYSTEMS OF BN、BH MOLECULES
Zhang Zhongming, Xiong Ye
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
1998, 15 (3):
343-348.
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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