CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1998, Vol. 15 ›› Issue (3): 343-348.
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Zhang Zhongming, Xiong Ye
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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.
Key words: nuclear Schrdinger equation, vibration-rotational interaction term, Morse potential approximation, wavefunction, Franck-Condon factors
CLC Number:
O561.3
Zhang Zhongming, Xiong Ye. CALCULATION FOR FRANCK-CONDON FACTORS OF THE RADIATION BAND SYSTEMS OF BN、BH MOLECULES[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1998, 15(3): 343-348.
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http://www.cjcp.org.cn/EN/Y1998/V15/I3/343