A New Method for Parameterization of Phase Shift and Backscattering Amplitude

Abstract

Parameterization of phase and backscattering amplitude with cubic splines is described. Using these cubic spline, the analytical partial derivatives of the plane wave EXAFS function can be calculated. The use of analytical partial derivatives decreases the CPU time needed for a refinement by over 60% for a three shell system compared to a refinement with partial derivatives calculated with the finite difference method.