Skip to main content

2000 | OriginalPaper | Buchkapitel

Approximate Time Independent Methods for Polyatomic Reactions

verfasst von : Joel M. Bowman

Erschienen in: Reaction and Molecular Dynamics

Verlag: Springer Berlin Heidelberg

Aktivieren Sie unsere intelligente Suche um passende Fachinhalte oder Patente zu finden.

search-config
loading …

In this chapter I review approximation methods to describe the quantum reactive scattering of polyatomic molecules. These methods are known generically as “reduced dimensionality” approximations. I will review several versions of this method, and focus on the so-called J-shifting approximation and very recent developments of it. These new developments are reviewed for the OH + H2reaction, where apparent discrepancies between coupled-states and standard J-shifting rate constants are resolved. I also present new expressions in the spirit of J-shifting for reactions that proceed via complex formation.

Metadaten
Titel
Approximate Time Independent Methods for Polyatomic Reactions
verfasst von
Joel M. Bowman
Copyright-Jahr
2000
Verlag
Springer Berlin Heidelberg
DOI
https://doi.org/10.1007/978-3-642-57051-3_7