WebFEFF is an automated program for ab initio multiple scattering calculations of X-ray Absorption Fine Structure (XAFS), X-ray Absorption Near-Edge Structure (XANES) and various other spectra for clusters of atoms. The … WebSep 9, 2024 · FEFF is an automated program for ab initio multiple scattering calculations of X-ray Absorption Fine Structure (XAFS), X-ray Absorption Near-Edge Structure (XANES) and various other spectra for clusters of atoms. The code yields scattering amplitudes and phases used in many modern XAFS analysis codes, as well as various other properties.
Verification of the FEFF simulations to K-edge XANES spectra …
WebA FEFF periodic table interface to create single scattering phase and amplitude paths - compatible with FEFF6 through FEFF8. A GUI for the fitting of experimental EXAFS to theoretically derived phase and amplitude files. A GUI for linear combination fitting of EXAFS or XANES to experimentally obtained reference spectra. WebMar 3, 2024 · In combination with the simulated XANES of Fe(CO) 5 and Fe(CO) 4 EtOH by the FEFF program, where FEFF is an automated program for ab initio calculations of … short spear 3.5
Verification of the FEFF simulations to K-edge XANES …
Webx線スペクトル解析のための第一原理計算パッケージ。実空間グリーン関数法による多重散乱計算を行い、xafs, xanesなどのx線分光スペクトルの理論予測を行う。グラフィカルユーザーインターフェースが提供されている。ライセンスは有償で提供されている。 WebFEFF XANES Select an element to display a spectrum averaged over all sites of that element in the structure. Apply Gaussian smoothing: 0 eV. 3 eV. FWHM: 0 eV. Download spectra for every symmetrically equivalent absorption site in the structure. XAS Spectra Download FEFF Input parameters. FEFF Input × Warning: These results are intended to ... WebVery old versions of FEFF: FEFF7, fully relativistic multiple scattering XAFS and XANES with polarization dependence. Also has new Dirac-Fock atomic potentials and improved self-energies. HTML. PostScript. FEFF6, multiple scattering XAFS and XANES with polarization dependence. HTML. short speaker wire