IBr分子含时波包的理论探究  

Study on the time-dependent wave packet of IBr molecule

作　　者：赵起[1,2] 刘瑞琼[1,2] 刘玉芳[1] 

机构地区：[1]河南师范大学物理与信息工程学院,新乡453007 [2]河南质量工程职业学院,平顶山467000

出　　处：《原子与分子物理学报》2011年第3期499-503,共5页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(60977063);河南省高校杰出科研人才创新工程项目(084100510011)

摘　　要：本文主要对IBr分子的飞秒含时光电子能谱进行了模拟计算.运用含时量子波包方法,对不同延迟时间的光电子能谱进行模拟计算与理论分析.应用波包和光诱导势理论,对光电子能谱共同的两峰系特征及多峰现象给予合理解释.光电子能谱的峰值随延迟时间的增加而递减现象,是由于波包在A^3Ⅱ_1势能面上因分子解离发散,使整个波包在势能曲线上的振荡递减造成的.研究表明:波包的传播是一个能量减弱的过程;跃迁过程中不同电离通道之间的竞争,也对能谱存在一定的影响.The simulation of time-resolved photoelectron spectra for IBr molecule is studied mainly. The time-dependent quantum wave packet method is employed to calculate and analyze the photoelectron spectra of different delay times. The common characteristic of bimodal system and the phenomenon of more peaks are interpreted in reason using the theory of wave-packet and light-induced potentials. The reason why the peak decreases monotonically as the increases of delay-time is that the wave packet on the potential energy surface of A3Ⅱ1 for dissociation make the oscillating of wave packet on the A3 Ⅱ1 curve to decrease. By analyzing the results further, we can conclude that the propagation of wave-packet is a decreasing process of energy. In addition, the competition between different ionization channels in the process of transition also have a certain impact on the energy spectrum.

关 键 词：IBr分子 光电子 量子 

分 类 号：O433.59[机械工程—光学工程] O434.14[理学—光学]