Abstract
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.
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Bowman, J.M. (2000). Approximate Time Independent Methods for Polyatomic Reactions. In: Laganà, A., Riganelli, A. (eds) Reaction and Molecular Dynamics. Lecture Notes in Chemistry, vol 75. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-57051-3_7
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DOI: https://doi.org/10.1007/978-3-642-57051-3_7
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