References

From FEFF

Appendix C: References

Please cite FEFF and an appropriate FEFF reference if the code or its results are used in published work. The main reference for calculations with the curernt version FEFF9 is

``Parameter-free calculations of X-ray spectra with FEFF9", J.J. Rehr, J.J. Kas, F.D. Vila, M.P. Prange, K. Jorissen, Phys. Chem. Chem. Phys. 12 (21) 5503-5513 (2010).


FEFF9 
MAIN 
``Parameter-free calculations of X-ray spectra with FEFF9", J.J. Rehr, J.J. Kas, F.D. Vila, M.P. Prange, K. Jorissen, Phys. Chem. Chem. Phys. 12 (21) 5503-5513 (2010).
XAS 
"Ab initio theory and calculations of X-ray spectra", John J. Rehr, Joshua J. Kas, Micah P. Prange, Adam P. Sorini, Yoshinari Takimoto, Fernando Vila, Comptes Rendus Physique 10 (6) 548-559 (2009)
EELS 
"Multiple scattering calculatinos of relativistic electron energy loss spectra," K. Jorissen, J. J. Rehr, and J. Verbeeck,Phys. Rev. B 81, 155108 (2010)..
NRIXS 
"Inelastic Scattering from Core-electrons: a Multiple Scattering Approach," J. A. Soininen, A. L. Ankudinov, and J. J. Rehr, Phys. Rev. B 72, 045136 (2005).
KSPACE 
"Calculations of electron energy loss and x-ray absorption spectra in periodic systems without a supercell," K. Jorissen and J.J. Rehr, Phys. Rev. B 81, 245124 (2010).
Inelastic Mean Free Path 
"Ab initio calculations of mean free paths and stopping powers," A. P. Sorini, J. J. Kas, J. J. Rehr, M. P. Prange and Z. H. Levine, Phys. Rev. B 74, 165111 (2006).
Debye-Waller factors 
"Theoretical X-Ray Absorption Debye-Waller Factors," Fernando D. Vila, J. J. Rehr, H. H. Rossner, H. J. Krappe, Phys. Rev. B76, 014301 (2007).
Many-Pole Self-Energy 
"Many-pole model of inelastic losses in x-ray absorption spectra," J.J. Kas, A. P. Sorini, M. P. Prange, L. W. Cambell, and J. A. Soininen, and J. J. Rehr, Phys. Rev. B 76, 195116 (2007).
FEFF8 
Main FEFF8 reference A.L. Ankudinov, B. Ravel, J.J. Rehr, and S.D. Conradson, Real Space Multiple Scattering Calculation of XANES, Phys. Rev. B 58, 7565 (1998).
FEFF8.1 
A.L. Ankudinov, and J.J. Rehr, Theory of solid state contributions to the x-ray elastic scattering amplitude, Phys. Rev. B 62, 2437 (2000).
FEFF8.2 
A.L. Ankudinov, C. Bouldin, J.J. Rehr, J. Sims, H. Hung, Parallel calculation of electron multiple scattering using Lanczos algorithms, Phys. Rev. B 65, 104107 (2002).
FEFF8.4 
A.L. Ankudinov, A.I. Nesvizhskii, and J.J. Rehr, Dynamic screening effects in x-ray absorption spectra, Phys. Rev. B 67, 115120 (2003); this contains information about TDLDA calculations in FEFF.

M.S. Moreno, K. Jorissen, and J.J. Rehr, Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8, Micron 38, 1 (2007); this paper has information on EELS calculations using FEFF8.4.

FEFF7 
A.L. Ankudinov and J.J. Rehr, Relativistic Spin-dependent X-ray Absorption Theory, Phys. Rev. B 56, R1712 (1997). A.L. Ankudinov, PhD Thesis, Relativistic Spin-dependent X-ray Absorption Theory, University of Washington, (1996); this contains a review of x-ray absorption theory, a whole chapter of information about FEFF for expert users, example applications, and the full FEFF7 program tree.
FEFF6 
S.I. Zabinsky, J.J. Rehr, A. Ankudinov, R.C. Albers and M.J. Eller, Multiple Scattering Calculations of X-ray Absorption Spectra, Phys. Rev. B 52, 2995 (1995).
FEFF5 
J.J. Rehr, S.I. Zabinsky and R.C. Albers, High-order multiple scattering calculations of x-ray-absorption fine structure, Phys. Rev. Lett. 69, 3397 (1992).
FEFF3 and FEFF4 
J. Mustre de Leon, J.J. Rehr, S.I. Zabinsky, and R.C. Albers, Ab initio curved-wave x-ray-absorption fine structure, Phys. Rev. B 44, 4146 (1991).
FEFF3 
J.J. Rehr, J. Mustre de Leon, S.I. Zabinsky, and R.C. Albers, Theoretical X-ray Absorption Fine Structure Standards, J. Am. Chem. Soc. 113, 5135 (1991).
FEFF Review 
J.J. Rehr and R.C. Albers, Modern Theory of XAFS, Rev. Mod. Phys. 72, 621 (2000).
Sum rule normalization procedure in FEFF8.2 
A.I. Nesvizhskii, A.L. Ankudinov, and J.J. Rehr, Normalization and convergence of x-ray absorption sum rules, Phys. Rev. B 63, 094412 (2001).
Multiple Scattering theory in FEFF 
J.J. Rehr and R.C. Albers, Scattering-matrix formulation of curved-wave multiplescattering theory: Application to x-ray-absorption fine structure, Phys. Rev. B 41, 8139 (1990).
Dirac–Fock atom code 
A.L. Ankudinov, S.I. Zabinsky and J.J. Rehr, Single configuration Dirac-Fock atom code, Comp. Phys. Comm. 98, 359 (1996).

See also the list of FEFF related publications.



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