分子超激发态的理论研究：F2分子离子对解离效率谱的标识及强度

Theoretical study of the molecular super-excited states:assignment and theoretical relative intensities of the photofragment yield spectra for F^- from F_2 ion-pair production

在量子数亏损理论框架下,应用多重散射自洽场方法和含时波包演化法研究了F2分子经过超激发态发生离子对解离产生的F-离子产生效率谱.根据我们的计算,可以给出清楚的标识,并且对实验谱的相对强度可以给出初步说明.

In the framework of quantum defect theory,the photofragment yield spectra for F^- from F2 ion-pair production have been studied.The multiple-scattering self-consistent field method and the theoretical time-dependent wave-packet dynamics method are employed.Based on our calculated results,the vibrational resolved assignment and the calculated relative intensity are provided.