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Applications of the Karhunen-Loève Decomposition to Quantum Dynamical Problems

  • H. Dietz , M. Marek , A.F. Münster and V. Engel
Published/Copyright: September 25, 2009
Zeitschrift für Physikalische Chemie
From the journal Volume 216 Issue 3

The Karhunen-Loève (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.

Published Online: 2009-09-25
Published in Print: 2002-03
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