Theoretical study of the femtosecond photoionization of the NaI molecule

摘要

The time-resolved photoelectron spectra of the NaI molecule, as well as the populations of the Na+ ion and the NaI+ ion have been calculated in this paper by using the time-dependent wave packet method. The results agree well with the experimental ones [J. Phys. Chem. A 101, 2555 (1997)]. It is found that exchange of the wave packets in the crossing area plays a prominent role in the process of photoionization. Two conclusions can be derived from the calculation: First, the population of the Na+ ion is approximately seven times that of the NaI+ ion when the pump and probe delay is 150 fs and, second, the vibrational period is about 700 fs and has an increasing trend with the increase of time.