𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Fourier analysis of EXAFS data — A self-contained FORTRAN program-package — A second version

✍ Scribed by N. Aldea; E. Indrea

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
599 KB
Volume
51
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.

✦ Synopsis

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~-distance from the central absorbing atom to atoms in the jth coordination shell, ]V~-number of atoms in the jth shell, o~-root mean square deviation of the interatomic distance about R~,A, -mean free path for inelastic scattering, A~-amplitude envelope function and ~( k)phase shift. The main numerically methods used are: (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. (ii) Fourier transformation by Filon's quadrature formulae. (iii) iterative least squares linear Taylor differential-correction technique. The quantitative and graphical results for Ni spectrum are given.

📜 SIMILAR VOLUMES

Fourier analysis of EXAFS data, a self-c
Fourier analysis of EXAFS data, a self-contained fortran program-package
✍ E. Indrea; N. Aldea 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 354 KB

## Structural information obtainable by Fourier transform of the EXAFS function consists ofbond distances, a measure Catalogue number: ACUF of disorder in bond distances due both to thermal and structural disorder, coordination number, and chemical identity of

Fourier analysis of EXAFS and XANES data
Fourier analysis of EXAFS and XANES data - a self-contained FORTRAN program-package - the third version
✍ Nicolae Aldea; Emil Indrea 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 589 KB

A third version of Fourier analysis of XANES and EXAFS data, a self-contained FORTRAN program-package, is described. By the direct dialog between the user and the indirect command processor, based on XANES and EXAFS spectra, there is the possibility to obtain the electronic and structural parameters