An inverse method for obtaining smooth multidimensional potential energy surfaces: application to Ar+OH A 2∑+(v=0)
- 1 February 1995
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 102 (5) , 2282-2285
- https://doi.org/10.1063/1.468749
Abstract
A regularized inverse method is developed to determine an accurate multidimensional potential energy surface directly from spectral or scattering data. The method properly handles the inherent underdeterminancy, instability and nonlinearity of the problem, and extracts a physically acceptable smooth solution. The method is implemented for Ar+OH(A 2∑+).Keywords
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