Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. III. Small θ behavior and corrigenda
- 1 April 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 90 (7) , 3511-3519
- https://doi.org/10.1063/1.455862
Abstract
We continue development of the theory of reactive (rearrangement) scattering using adiabatically adjusting, principal axis, hyperspherical (APH) coordinates. The behavior of the solutions for small θ (oblate symmetric top) configurations is examined, and it is shown that the exact surface functions need not be continuous at θ=0. A procedure for testing the importance of the small θ region and the adequacy of the usual APH centrifugal sudden basis of surface functions is presented and illustrated by example calculations on the even parity, J=1, H3 system. A list of corrections to earlier papers in the series is also given.Keywords
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