Parameter-free calculations of X-ray spectra with FEFF9.

By J. Rehr, J. Kas, F. Vila, M. Prange, K. Jorissen. Physical Chemistry, Chemical Physics - PCCP, 2010

1,101 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Radiation, Surfaces, Coatings and Films

View Paper: https://www.semanticscholar.org/paper/58f4a592a2be931290aaca6caf26aa209ecd0954

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Zi-kui Liu
2. Chi Chen
3. Chris Wolverton
4. Jeffrey B. Neaton
5. Simon J. L. Billinge
6. Shyue Ping Ong
7. Tess E. Smidt
8. Kristin A. Persson

In Radiation

1. Simon J. L. Billinge

In Surfaces, Coatings and Films

1. Yuri Mishin

Citations in the corpus

• Recent advances and applications of deep learning methods in materials science (2021, methodology): “The training XANES data were generated using the FEFF package [228].”
• Unveiling the Stable Nature of the Solid Electrolyte Interphase between Lithium Metal and LiPON via Cryogenic Electron Microscopy (2020, methodology): “Electron energy loss spectroscopy simulations were conducted using FEFF9 software.(52) The crystal structures used included a Li2O cif file (ID #22402), a Li3PO4 cif file (ID # 77095), and a Li3P cif file (ID # 240861) taken from ICSD database.”
• Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows (2017, methodology): “FEFF implements the real space Green’s function (RSGF) approach for the calculation of X-ray absorption spectra (XAS).”