New developments in FEFF: FEFF9 and JFEFF

Journal of Physics: Conference Series

Volumn 430, Issue 1, 2013, Pages

  Jorissen, Kevin ^a   Rehr, John J ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; PERSONAL COMPUTERS;

AB INITIO; CORE LEVEL SPECTROSCOPY; NEW PHYSICS; PARALLEL SYSTEM; USER FRIENDLY; VIRTUAL CLOUD;

X RAY ABSORPTION;

EID: 84877320128     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/430/1/012001     Document Type: Conference Paper

References (8)

1. Stern, E. A., D. E. Sayers, and F. W. Lytle, 1975, Phys. Rev. B 11, 4836.
2. Rehr, J. J., Kas, J. J., Vila, F. D., Prange, M. P., and Jorissen, K., Parameter-free calculations of X-ray spectra with FEFF9, Physical Chemistry Chemical Physics 12 (2010) 5503-5513.
3. Rehr, John J., Kas, Joshua J., Prange, Micah P., Sorini, Adam P., Takimoto, Yoshinari, and Vila, Fernando, Ab initio theory and calculations of X-ray spectra, Comptes Rendus Physique 10 (2009) 548-559.
4. Kas, J., Sorini, A., Prange, M., Cambell, L., Soininen, J., and Rehr, J., Many-pole model of inelastic losses in x-ray absorption spectra, Physical Review B 76 195116 (2007).
5. Vila, F., Lindahl, V., and Rehr, J., X-ray absorption Debye-Waller factors from ab initio molecular dynamics, Physical Review B 85 024303 (2012).
6. Jorissen, K. and Rehr, J. J., Calculations of electron energy loss and x-ray absorption spectra in periodic systems without a supercell, Physical Review B 81 245124 (2010).
7. Amazon Web Services, http://aws.amazon.com/ (2011).
8. Jorissen, K., Vila, F., and Rehr, J. J., A high performance scientific cloud computing environment for materials simulations, Computer Physics Communications 183 1911-19 (2012).