Abstract
Parameterization of phase and backscattering amplitude with cubic splines is described. Using the cubic spline, the analytical partial derivatives of the plane wave EXAFS function can be calcalated. 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 derivaties calculated with the finite difference method.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have