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DOE OSTI · 1975538

The FEFF code

Kas, Joshua J.·Vila, F. D.·Rehr, J. J.
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Abstract

FEFF is a real-space multiple-scattering Green’s function code for simulating a variety of X-ray spectroscopies as well as ground-state and excited-state electronic structure. It is perhaps best known for its use in extended X-ray absorption fine-structure (EXAFS) calculations, particularly within various analysis codes such as DEMETER and LARCH. In addition to EXAFS, FEFF can also be used to calculate X-ray absorption near-edge structure (XANES), X-ray emission spectroscopy (XES), electron energy loss spectra (EELS) and many other spectroscopic quantities. Here, the basic approach used for the calculations is described, focusing on the most important approximations and aspects of the simulations. Here, the capabilities of the FEFF code, including those of the Java-based graphical user interface JFEFF, are also briefly described.

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75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITYEXAFSFEFFJFEFFXANESXESmultiple scattering

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Kas, Joshua J., Vila, F. D., Rehr, J. J.. 2020-12-21. The FEFF code. https://doi.org/10.1107/s1574870720003274

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