Quantum Theory with Discrete Spectra and Countable Systems of Differential Equations - A Numerical Treatment of Raman Spectroscopy.
| SC 92-07 | Christof Schütte, Michael Wulkow
Quantum Theory with Discrete Spectra and Countable Systems of Differential Equations - A Numerical Treatment of Raman Spectroscopy. | |
Abstract: 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.