NaH分子B^1Π态光解离动力学的含时理论研究  

Photodissociation dynamics of NaH molecule B^1Π state by time-dependent wave packet scheme

作　　者：李世刚[1] 赵晓云[1] 

机构地区：[1]阜阳师范学院物理与电子科学学院,安徽阜阳236037

出　　处：《阜阳师范学院学报（自然科学版）》2012年第4期14-16,共3页Journal of Fuyang Normal University(Natural Science)

基　　金：安徽省高校省级自然科学研究项目(KJ2012Z305);安徽省高校优秀青年人才基金资助项目(2012SQRL116)资助

摘　　要：利用劈裂算符方法和Chebyshew多项式方法传播波包计算了NaH分子从初始态X1Σ+(v=0)跃迁到激发态B1Π的光解离吸收谱。结果表明,在计算总的光解离截面时,利用劈裂算符传播波包方法与Chebyshew多项式传播波包方法计算效果基本相同,但要在理论上给出与实验结果吻合较好的光解离吸收谱,势能曲线的选择是关键。By using the split operator scheme and Chebyshev polynomial scheme progagated the time-dependent wave packet,the absorption spectrum of Nail molecule from X1∑＋（v=0） to B＇ П has been simulated. The research shows that using the time-de- pendent wave packet method to calculate the maximum photodissoeiation cross section, the Chebyshev polynomial scheme can give basically the same result as the split operator scheme; the absorption spectrum are sensitive to the potential energy curves.

关 键 词：光解离截面 Chebyshew多项式展开方法 劈裂算符方法 

分 类 号：O561.4[理学—原子与分子物理]