摘要
采用离散变量表示(DVR)方案研究了双原子分子在强场下的多光子电离光电子能谱,得到了与实验相同的结果.在这种方案中,时间演化算符的幺正性保证了波函数在传播过程中的规范性.另外,可以根据实际情况选择一定个数的基矢和格点,在一定程度上提高了计算效率,特别是在计算模拟具有多个势能面参与的光电子能谱时,其优越性是显而易见的.
The discrete variable representation (DVR) scheme is applied to investigate the photoelectron spectnun (PES) of multiphoton ionization for some diatomic molecules in strong fields. In this scheme, the unitary of time evolution operators makes sure that the wavefunction is normalized in time - space propagation. In addition, the choice of the finite basis set enhances the calculation efficiency to some extent, especially for simulating the PES associated with many potential surfaces.
出处
《山东师范大学学报(自然科学版)》
CAS
2006年第3期50-52,共3页
Journal of Shandong Normal University(Natural Science)
基金
国家自然科学基金资助项目(10574083
10474060)