Iterative Mapping of Phase-Shift Space to Potential Space in Molecular-Beam Scattering
- 1 October 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (7), 2519-2525
- https://doi.org/10.1063/1.1727971
Abstract
An iterative mapping procedure has been developed which correlates variations in the scattering phase shifts to intermolecular potential changes. Although a point‐by‐point potential is generated, a six‐parameter potential form has been assumed for convenience in the generation of the phase shifts via the JWKB approximation. The method has been texted using standard phase shifts to ascertain the inaccuracies to be expected with potential variations. From the calculations, the accuracy of the potential points generated in the mapping is limited only to the technique used to fit them and is found independent of the bowl shape.Keywords
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