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FEFF9 The FEFF Project



feff is an ab initio self-consistent multiple-scattering code for simultaneous calculations of excitation spectra and electronic structure. The approach is based on a real space Green’s function approach including a screened core-hole, inelastic losses and self-energy shifts, and correlated Debye-Waller factors. Optionally the approach can include local fields (TDLDA) and an approximate treatment of multi-electron excitations. The output includes x-ray absorption spectra (XAS) and projected local densities of states (LDOS). The spectra include extended x-ray absorption fine structure (EXAFS), x-ray absorption near edge structure (XANES), x-ray natural and magnetic circular dichroism (XNCD and XMCD), spin polarized x-ray absorption spectra (SPXAS and SPEXAFS), non-resonant x-ray emission spectra (XES), and the x-ray scattering amplitude (including Thomson and anomalous parts). In addition the code can treat relativistic electron energy loss spectroscopy (EELS). The code is written in Fortran 90 and can optionally be run from a Java based graphical interface

Topics: Contents
Year: 2010
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