Exact time‐dependent wave packet propagation: Application to the photodissociation of methyl iodide
摘要:
We propose a technique for exact wave packet propagation by a straightforward extension of the semiclassical wave packet propagation procedure. This is an efficient method to calculate photodissociation, Raman, and resonance Raman scattering cross sections. It is applied to the photodissociation of CH3I. The potential surfaces for CH3I are those suggested by Shapiro and Bersohn [J. Chem. Phys. 73, 3810 (1980)]. The results that we obtained by this time‐dependent approach differs significantly from those of Shapiro and Bersohn, where a time‐independent technique is used to calculate the cross sections.
展开
DOI:
10.1063/1.443342
被引量:
年份:
1982
通过文献互助平台发起求助,成功后即可免费获取论文全文。
相似文献
参考文献
引证文献
辅助模式
引用
文献可以批量引用啦~
欢迎点我试用!