An improved log derivative method for inelastic scattering
- 1 December 1986
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 85 (11) , 6425-6429
- https://doi.org/10.1063/1.451472
Abstract
A new method for solving the close coupled equations of inelastic scattering is presented. The method is based on Johnson’s log derivative algorithm, and uses the same quadrature for the solution of the corresponding integral equations. However it differs from the original method in the use of a piecewise constant diagonal reference potential. This results in a reduction in matrix operations at subsequent energies, and an improved convergence of the solution with respect to the number of grid points. These advantages are clearly demonstrated when our method is applied to an atom–diatom rotational excitation problem.Keywords
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