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Talk abstract:
Some Multiple-Time-Scale Problems in Chemical Dynamics, Molecular
Spectroscopy, & Kinetic Modeling
Michael J. Davis, Argonne National Laboratory
Several problems in the titled areas are discussed in terms
of their multiple-time-scale properties. In particular, theories
of unimolecular reactions and the description of vibrational
spectra and eigenstates are mentioned. The main focus of the talk
will be low-dimensional manifolds in problems involving kinetic modeling.
The manifolds are generated numerically using two methods. One is
the approximate method of Maas and Pope and the other is our modification
of Fraser's relaxation algorithm which is able to generate exact
low-dimensional manifolds under some conditions. Some simple model
problems are discussed as well as applications to gas phase chemical
kinetics, vibrational relaxation, and the coarsening of solid surfaces.
This is joint work with Rex T. Skodje.
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