Abstract
A new version of Fourier analysis of EXAFS data, a self-contained FORTRAN program-package, is described. The EXAFS spectra analyses has been processed by hybrid Fourier transform and curve-fitting procedure. The purpose of the program package is, based on EXAFS measurements, to obtain the structural parameters: R j - distance from the central absorbing atom to atoms in the jth coordination shell, N j - number of atoms in the jth shell, σ j - root mean square deviation of t he interatomic distance about R j , λ j - mean free path for inelastic scattering, A j - amplitude envelope function and δ j ( k) - phase shift. The main numerically methods used are: 1. (i) smoothing and interpolation by 3rd order piecewise polynomial functions, Newton's interpolation formula for unequally spaced value of the argument and by cubic spline in the least squares sense. 2. (ii) Fourier transformation by Filon's quadrature formulae. 3. (iii) iterative least squares linear Taylor differential-correction technique. The quantitative and graphical results for Ni spectrum are given.
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