利用分子轨道理论,结合一个新的模型势,我们给出了里德堡NO分子中激发态电子所受到的作用势的解析表达式.利用分子的闭合轨道理论和分区自洽的迭代方法,首次从理论上计算了NO分子在强磁场中的回归谱.通过和A.Matzkin等人给出的NO分子在强磁场中的实验谱的比较,表明我们的计算是正确的。
Using molecular orbit theory and a new model potential, we give the analytical formula of the potential of the excited electron in the Rydberg NO molecule. Using molecular closed orbit theory and the region splitting and consistent iterative method, we firstly compute the recurrence spectra of NO molecule in strong magnetic field theoretically. The comparison of our result with the experimental spectra given byA. Matzkin et al, suggests our calculation is correct.