Applications of the Karhunen-Loeve decomposition to quantum dynamical problems

被引:1
作者
Dietz, H
Marek, M
Münster, AF
Engel, V [1 ]
机构
[1] Univ Wurzburg, Inst Phys Chem, D-97074 Wurzburg, Germany
[2] Arthur Andersen WPG StBG MbH, D-65760 Eschborn, Germany
[3] Prague Inst Chem Technol, Dept Chem Engn, CR-16628 Prague, Czech Republic
来源
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2002年 / 216卷
关键词
Karhunen-Loeve decomposition; quantum dynamics; collisions; femtosecond spectroscopy;
D O I
10.1524/zpch.2002.216.3.291
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The Karhunen-Loeve (KL)-decomposition is a standard method to analyze spatiotemporal patterns which are characteristic for non-linear chemical dynamics on surfaces. We apply the KL-decomposition to quantum dynamical problems. Using a variational principle it is shown how to arrive at the KL-expansion of an arbitrary complex valued function. In the case of an one-dimensional bound state motion, the KL-decomposition yields the eigenstates of the system in a straightforward manner. The time-resolved spectroscopy of an atom-molecule collision serves as another application. We demonstrate that the orthonormal decomposition into KL-modes provides an efficient tool to calculate long-time pump-probe signals.
引用
收藏
页码:291 / 303
页数:13
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