OH自由基X^2∏电子态下(9,4)及(5,1)带振转光谱理论计算  

Calculation of(9,4)、(5,1) Band of Vibrational-Rotational Spectrum in OH X^2∏

作　　者：邵旭萍[1] 龚天林[1] 

机构地区：[1]南通大学理学院,江苏南通226007

出　　处：《南通大学学报（自然科学版）》2008年第3期27-30,共4页Journal of Nantong University(Natural Science Edition)　

摘　　要：基于有效哈密顿量对角化的方法编写双原子分子光谱计算和拟合程序,根据已有分子常数计算了OH自由基X2∏电子态下(3,0)带振转光谱,结果与实验值吻合较好.在高激发态跃迁谱线相对缺乏的情况下计算了(9,4)及(5,1)带振转光谱,理论位置可为实际研究提供可靠的参照,同时能对实验谱线的标识起到较好的辅助作用.Theory calculation and fitting program was compiled based on the diagonalization of effective Hamihonian. According to the published constant, vibrational-rotational spectrum of（3,0） band was studied, and it approached with experimental data quite well. In the absence of the lines of high excited state, （9,4） and （5,1） band were calculated, and the results would conduce to the practice investigations and marking progress.

关 键 词：OH自由基 振转光谱 计算 辅助标识 

分 类 号：O561.3[理学—原子与分子物理]