摘要
The time-resolved photoelectron spectra （TRPES） of NaI molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves （adiabatic and diabatic） are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations （adiabatic and diabatic） is presented.
The time-resolved photoelectron spectra （TRPES） of NaI molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves （adiabatic and diabatic） are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations （adiabatic and diabatic） is presented.
基金
Supported by the National Natural Science Foundation of China under Grant Nos 10574039 and 10174019, the Foundation for Key Programme of the Ministry of Education of China under Grant No 206084, the Henan Province Innovation Project for University Prominent Research Talents under great No HAIPUTT2006KYCX002, the Innovation Scientists and Technicians Troop Construction Projects of Henan Province under Grant No 084100510011.
