Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF  

作　　者：孟庆田 A. J. C. Varandas 

机构地区：[1]Department of Physics,Institute of Physics and Electronics,Shandong Normal University [2]Departamento de Quimica,Universidade de Coimbra

出　　处：《Chinese Physics B》2013年第7期140-147,共8页中国物理B（英文版）

基　　金：the International Cooperation Program for Excellent Lectures of 2008 by Shandong Provincial Education Department,China;the National Natural Science Foundation of China(Grant No.11074151);Fundao para a Ciência e a Tecnologia,Portugal

摘　　要：The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves （PECs） using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state （FTS） spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves （PECs） using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state （FTS） spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.

关 键 词：photo-dissociation dynamics time-dependent wave packet method photo-absorption spectra external field effect 

分 类 号：O441.4[理学—电磁学]