Quantum Theory with Discrete Spectra and Countable Systems of Differential Equations - A Numerical Treatment of RamanSpectroscopy.

Please always quote using this URN: urn:nbn:de:0297-zib-778
  • Models for occupation dynamics in discrete quantum systems lead to large or even infinite systems of ordinary differential equations. Some new mathematical techniques, developed for the simulation of chemical processes, make a numerical solution of countable systems of ordinary differential equations possible. Both, a basic physical concept for the construction of such systems and the structure of the numerical tools for solving them are presented. These conceptual aspects are illustrated by a simulation of an occupation process from spectroscopy. In this example the structures of rotation spectra observed in infrared spectroscopy are explained and some possibilities for an extension of the model are shown.

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Metadaten
Author:Christof Schütte, Michael Wulkow
Document Type:ZIB-Report
Date of first Publication:1992/04/02
Series (Serial Number):ZIB-Report (SC-92-07)