The time-dependent quantum wave packet method is used to investigate the dynamics for the Li2 molecule, and the time-resolved photoelectron spectra （TRPES） of the Li2 molecule are calculated. At the short delay time...The time-dependent quantum wave packet method is used to investigate the dynamics for the Li2 molecule, and the time-resolved photoelectron spectra （TRPES） of the Li2 molecule are calculated. At the short delay time, the particular phenomenon of TRPES with four peaks is qualitatively interpreted in a dressed state picture by analyzing wave packet motion on light-induced potential （LIP）. The significant difference in the electronic structure of E1∑g^＋ between the inner and outer turning points has an impact on the TRPES. The control for the first excited state A1∑u^＋ of the initial wave packet is discussed.展开更多
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 sim...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.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 60577050 and 10574039, the Key Project of Science and Technology Research of Education Ministry of China under Grant No 206084, the Innovation Scientists and Technicians Troop Construction Projects of Henan Province under Grant No 084100510011, the Innovation Talents of Institution of Higher Education of Henan Province under Grant No 2006KYCX002.
文摘The time-dependent quantum wave packet method is used to investigate the dynamics for the Li2 molecule, and the time-resolved photoelectron spectra （TRPES） of the Li2 molecule are calculated. At the short delay time, the particular phenomenon of TRPES with four peaks is qualitatively interpreted in a dressed state picture by analyzing wave packet motion on light-induced potential （LIP）. The significant difference in the electronic structure of E1∑g^＋ between the inner and outer turning points has an impact on the TRPES. The control for the first excited state A1∑u^＋ of the initial wave packet is discussed.
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.
文摘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.
