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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.
Based on the effective Hamiltonian diagonalization method, the calculation and fitting program of diatomic molecular spectra were compiled. Based on the existing molecular constants, the (3,0) band vibration spectra of the OH radical in the X2Π electron state were calculated and compared with the experimental data (9,4) and (5,1) band vibration spectra were calculated under the condition of the relative lack of high-excited transitions. The theoretical position can provide a reliable reference for the practical research and can be used to test the experimental spectra Line logo play a good auxiliary role.