Publications - John J. Rehr, Professor of Physics, University of Washington

1990-present

High Temperature Series for Scalar-Field Lattice Models: Generation and Analysis B.G. Nickel and J.J. Rehr, J. Stat Phys. 61, 1 (1990).
Relative Importance of Recent Improvements in the Modelling of Substrate X-ray Photoelectron Diffraction - Ni 2p_3/2 Emission from Ni(001), with J. Osterwalder, A. Stuck, D.J. Friedman, A. Kaduwela, C.S. Fadley, J. Mustre de Leon, and J.J. Rehr, Physica Scripta 41, 990 (1990).
Scattering-matrix formulation of curved-wave multiple-scattering theory: Application to x-ray absorption theory, J.J. Rehr and R.C. Albers, Phys. Rev. B41, 8139 (1990).
Calculation of X-ray absorption structure above K-edge of laser shock-compressed aluminum, A. Djauoi, T. Hall, R.C. Albers, J.J. Rehr and J. Mustre, Laser and Particle Beams 8, 319 (1990).
The Analysis of Experimental EXAFS Data Using Calculated Curved Wave Multiple Scattering EXAFS Spectra, J. Mustre de Leon, Y. Yacoby, E.A. Stern, and J.J. Rehr, Phys. Rev B42, 10843 (1990).
Inelastic Effects in X-ray Spectroscopies: Theory vs Experiment, in X-ray Absorption Fine Structure, ed. S. Hasnain, (Ellis Horwood, 1991), p. 15.
Theoretical X-ray Absorption Fine Structure Standards, J.J. Rehr, J. Mustre de Leon, S.I. Zabinsky, and R.C. Albers, J. Am. Chem. Soc. 113, 5136 (1991).
Ab initio Curved-wave X-ray Absorption Fine Structure, J. Mustre de Leon, J.J. Rehr, S.I. Zabinsky, and R.C. Albers, Phys. Rev. B44, 4146 (1991).
Double electron excitation in atomic Xe, K.Zhang, E.A. Stern, J.J. Rehr, and F. Ellis, Phys. Rev. B44, 2030 (1991).
The Off-center Displacement of the Nb Ions below and above the Ferroelectric Phase Transition of KTa_.91Nb_.09O₃, O. Hansk-Petitpierre, Y. Yacoby, J. Mustre de Leon, E.A. Stern, and J.J. Rehr, Phys. Rev. B44, 6700 (1991).
Crystal Effects in β-Decay, J.J. Rehr, NATURE, 354, 436 (1991).
The Separable Spherical Wave Approximation: Application to XAFS Multiple Scattering in ReO₃, B. Houser, R. Ingalls, and J.J. Rehr, Phys. Rev. B45, 8097 (1992).
Photoelectron Diffraction Study of Ultrathin Films of AgBr on Ag(111), A.-B. Yang, F.C. Brown, J.J. Rehr, M.G. Mason, and Y.T. Tan, Phys. Rev. B45, 6188 (1992).
Diffraction Anomalous Fine Structure: A New X-ray Structural Technique, H. Stragier, J.O. Cross, J.J. Rehr, Larry B. Sorensen, C.E. Bouldin, and J.C. Woicik, Phys. Rev. Lett. 69, 3064 (1992).
High-order multiple-scattering calculations of x-ray-absorption fine structure, J.J. Rehr, R.C. Albers, and S.I. Zabinsky, Phys. Rev. Lett. 69, 3397 (1992).
Thermal expansiona and x-ray-absorption fine-structrue cumulants, A.I. Frenkel and J.J. Rehr, Phys. Rev. B 48, 585 (1993).
Near-edge x-ray absorption-fine structure of Pb: A comparison of theory and experiment, M. Newville, P. Livinš, Y. Yacoby, J.J. Rehr and E.A. Stern, Phys. Rev. B 47, 14126 (1993).
Recent Developments in Multiple-Scattering Calculations of XAFS and XANES, J.J. Rehr, Jpn. J. Appl. Phys. 32, 8 (1993).
Study of the Near edge Background Determination in the Alkali Halides, P. Livinš, R. Ingalls and J.J. Rehr, Japan J. Appl. Phys. 32 116 (1993).
Improved Distance Determination in Oxygen EXAFS: Soft X-ray Fluorescence Measurements versus Theoretical Studies, L. Tröger, D. Arvanitis, J. Rehr, T. Lederer, K. Baberschke, and E. Zshech, Japan J. Appl. Phys. 32 137 (1993).
Ab initio XAFS Calculations for a-As₂O₃, G. Pfeiffer, J.J. Rehr and D.E. Sayers, Japan J. Appl. Phys. 32 32 (1993).
An Improved Background Removal for XAFS and a Comparison of Pb XAFS with Theory to Low k. M. Newville, P. Livinš, J. Rehr, Y. Yacoby and E. Stern, Japan J. Appl. Phys. 32 125 (1993).
DAFS and DANES: Two New X-ray Diffraction Techniques Using Real Photons and Virtual Photoelectrons, L.B. Sorensen, J.O. Cross, M. Newville, B. Ravel, J.J. Rehr, C.E. Bouldin, J.C. Woicik, I.J. Pickering, G.N. George, D.J. Tweet, I. Hirosawa, K. Kimura, J. Mizuki, T. Tatsumi and T. Matsushita, in Resonance X-Ray Scattering (in press 1993).
Diffraction Anomalous Fine Structure: XAFS with Virtual Photoelectrons, C.E. Bouldin J.C. Woicik, H. Stragier, J.O. Cross, J.J. Rehr, and L.B. Sorensen Japanese Journal of Applied Physics 32 198 (1993).
Refinement of a Model for the Nitrogenase Mo-Fe Cluster Using Single Crystal Mo and Fe EXAFS, J. Chen, J. Christiansen, N. Campobasso, J.T. Bolin, R.C. Tittsworth, B.J. Hales J.J. Rehr and S.P. Cramer, Ang. Chem. 32 1592 (1993). Pergamon (in press 1993).
Convergence of the Multiple-Scattering Expansion in XAFS and XANES, J.J. Rehr in X-ray Absorption in Bulk and Surfaces (World Scientific, 1994), p. 3.
Feff 5 - An ab initio Multiple-scattering XAFS Code, J.J. Rehr and S.I. Zabinsky in X-ray Absorption in Bulk and Surfaces (World Scientific, 1994), p. 9.
Many Body Corrections in XAFS J.J. Rehr in X-ray Absorption in Bulk and Surfaces (World Scientific, 1994), p. 15.
X-ray Absorption Fine Structure in Embedded Atoms, J.J. Rehr, C.H. Booth, F. Bridges and S.I. Zabinsky, Phys. Rev. B49 12347 (1994).
Extended X-ray Absorption Fine Structure (EXAFS) Analysis of Disorder and Multiple-scattering in Complex Crystalline Solids, P.A. O'Day, J.J. Rehr, S.I. Zabinsky, and G.E. Brown, Jr., J. Am. Chem. Soc. 116 2938 (1994)
Crystallographic structure of cobalt films on Cu(001): elastic deformation to a tetragonal structure, O. Heckmann, H. Magnan, P. le Fevre, D. Chandesris, and J.J. Rehr, Surface Science 312 62 (1994).
Extended X-ray Absorption Fine Structure and Related Techniques, M.L. Denboer, T.L.Einstein, and J.J. Rehr, Encyclopedia of Advanced Materials, David Bloor et al. eds. (Permagon, London, 1994), p. 771.
Simulation of the Extended Fine Structure of K-shell Edges in Intermetallic Ordered Alloys, G. Blanche, G. Hug, M. Jaouen, A.-M. Flank and J. J. Rehr, Ultramicroscopy 59 121 (1995).
Sum rules for polarization-dependent x-ray absorption, A. Ankudinov and J. J. Rehr, Phys. Rev. B 51 1282 (1995).
XAFS near-edge structure of As₂S₃: A comparison of experiment and theory, G. Pfeiffer, J. J. Rehr and D. E. Sayers, Phys. Rev. B51 804 (1995).
Multiple-scattering approach to surface EXAFS: Theory vs. Experiment, J. J. Rehr, Surface Review and Letters 2 62 (1995).
Atomic-XAFS and XANES, J. J. Rehr, S. I. Zabinsky, A. Ankudinov, and Albers, Physica B. 208-209 23 (1995).
The near edge structure of a-As₂S₃ and pressure-induced changes, G. Pfeiffer, J. J. Rehr, and D. E. Sayers-D-E, Physica B. 208-209 385 (1995).
Order disorder elements in antiferrodistortive phase transitions, B. Rechav, Y. Yacoby, E. A. Stern, J. J. Rehr, and M. Newville, Physica B. 208-209 325 (1995).
XAFS study of ReO₃ under pressure, B. Houser, R. Ingalls, and J. J. Rehr, Physica B. 208-209 323 (1995).
The ferroelectric phase transition in PbTiO/sub 3/ from a local perspective N. Sicron, B. Ravel, Y. Yacoby, E. A. Stern, F. Dogan, and J. J. Rehr, Physica B. 208-209 319 (1995).
Order and disorder in structural phase transitions, Y. Yacoby, B. Rechav, N. Sicron, E. A. Stern, J. J. Rehr, and B. Ravel, Physica B. 208-209 259 (1995).
Order-disorder behavior in the phase transition of PbTiO₃, B. Ravel, N. Sicron, Y. Yacoby, E.A. Stern, F. Dogan, and J. J. Rehr, Ferroelectrics 164, 265 (1995).
Analysis of multiple-scattering XAFS data using theoretical standards, M. Newville, B. Ravel, D. Haskel, J. J. Rehr, E. A. Stern, and Y. Yacoby, Physica B. 208-209 154 (1995).
Multiple-Scattering Calculations of X-ray Absorption Spectra, S. I. Zabinsky, J. J. Rehr, A. Ankudinov, R. C. Albers and M. J. Eller, Phys. Rev. B52 2995 (1995).
Multiple-scattering calculations of the uranium L3-edge x-ray-absorption near-edge structure, E. A. Hudson, J. J. Rehr, and J. J. Bucher, Phys. Rev. B52 13815 (1995).
Calculation of x-ray magnetic circular dichroism in Gd,, A. Ankudinov and J. J. Rehr, Phys. Rev. B 52 10214 (1995).
Reply to Comment on `X-ray-absorption fine structure in embedded atoms' , J. J. Rehr, C.H. Booth, F. Bridges and S. I. Zabinsky, Phys. Rev. B 53 9468 (1996).
Single configuration Dirac-Fock atom code, A.L. Ankudinov, S.I Zabinsky and J.J. Rehr, Computer Physics Comm 98 359 (1996).
Coordination chemistry of Ti(IV) in silicate glasses and melts I. XAFS study of titanium coordination in oxide model compounds. F. Farges, G.E. Brown, and J.J. Rehr, Geochimica et Cosmochimica Acta, 60, 3023 (1996).
Coordination chemistry of Ti(IV) in silicate glasses and melts II. Glasses at ambient temperature and pressure. F. Farges, G.E. Brown, A. Navrotsky, H.Gan, and J. J.Rehr, Geochimica et Cosmochimica Acta, 60, 3039 (1996).
Coordination chemistry of Ti(IV) in silicate glasses and melts III. Glasses and melts from ambient to high temperatures. F. Farges, G.E. Brown, A. Navrotsky, H.Gan, and J. J.Rehr, Geochimica et Cosmochimica Acta, 60, 3055 (1996).
Ti K-edge XANES studies of Ti coordination and disorder in oxide compounds: Comparison between theory and experiment, F. Farges, G. E. Brown, Jr., and J. J. Rehr, Phys. Rev. B 56 1809 (1997).
XAS of Organouranium Compounds in the +V and +IV Oxidaton States, C. Den Auwer, C. Madic, J.C. Berthert, M. Ephritikhine, J.J. Rehr and R. Guillamont, Radiochimica Acta 76 211 (1997)
Prediction of EXAFS Spectra from Molecular Interaction Models: Na+(H20)n-MgO (100) Interface, Maureen I. McCarthy, Gregory K. Schenter, Monique R. Chacon-Taylor, John J. Rehr and Gordon E. Brown, Jr. Phys Rev B 56, 9925 (1997).
Numerical simulation of the platinum LIII edge white line relative to nanometer scale clusters, D. Bazin, D. Sayers, J.J. Rehr and C. Mottet, J. Phys. Chem B. 101 5332 (1997).
Comparison between X-ray absorption spectroscopy, anomalous wide angle X-ray scattering, anomalous small angle X-ray scattering, and diffraction anomalous fine structure techniques applied to nanometer-scale metallic clusters, Journal of Physical Chemistry B 101 11040 (1997).
Evidence for photoelectron backscattering by interstitial charge densities, H. Wende, P. Srivastava, R. Chauvistre, F. May, K. Baberschke, D. Arvanitis, and J. J. Rehr, Journal of Physics: Condensed Matter. 9, L427 (1997).
Anharmonic correlated Einstein-model Debye-Waller factors. Nguyen Van Hung and J. J. Rehr, Phys. Rev. B 56, 43 (1997).
Relativistic calculations of spin-dependent x-ray-absorption spectra, A. L. Ankudinov and J. J. Rehr, Phys. Rev. B 56, R1712 (1997).
J. J. Rehr, W. Bardyszewski and L. Hedin, J. Phys IV FRANCE 7, Colloque C2, C2-97 (1997)
Magnetic extended x-ray absorption fine structure at the L_3,2 edges of 3d elements, L. Lemke, H. Wende, P. Srivastavba, R. Chauvistre, N. Haack, K. Baberschke, J. Hunter-Dunn, D. Arvanitis, N. Martensson, A. Ankudinov and J. J. Rehr, J. Phys. Condens. Matter 10, 1917 (1998).
Evidence for photoelectron backscattering by interstitial charge densities, H. Wende, P. Srivastava, R. Chauvistre, F. May, K. Baberschke D. Arvanitis and J. J. Rehr, J. Phys. Condens. Matter 9 L427 (1997).
New Developments in NEXAFS/EXAFS Theory, J. J. Rehr, A. Ankudinov, and S. I. Zabinsky, Catalysis Today 39, 263 (1998).
Green's Function Calculation of Electron Screening in a Plasma, M.J. Watrous, L. Wilets and J. J. Rehr, Phys. Rev. E 59 3554-3561.
Relativistic XANES Calculations of Pu hydrates, A. L. Ankudinov, S. D. Conradson, J. Mustre de Leon, and J. J. Rehr, Phys Rev. B57, 7518 (1998).
Real space multiple scattering calculation and interpretation of X-ray absorption near edge structure, by A. Ankudinov, B. Ravel, J.J. Rehr, and S. Conradson, Physical Review B 58 7565 (1998).
Inclusion of local structure effects in theoretical x-ray resonant scattering amplitudes using ab initio x-ray absorption spectra calculations, J. O. Cross, M. I. Bell, M. Newville, J. J. Rehr, L. B. Sorensen, C. E. Bouldin, G. Watson, T. Gouder, G. H. Lander and M.I. Bell, Phys. Rev. B.58 11215 1998.
Multiple scattering x-ray absorption fine structure Debye Waller factors, A. V. Poiarkova and J. J. Rehr, Phys. Rev. B 59 948, 1999.
Ab initio XANES calculations for KCl and PbS, A. A. Lavrentyev, B. V. Gabrelian, I. Ya. Nikiforov and J. J. Rehr, J. Phys. Chem. Solids, 60, 787 (1999).
Magnetic L-edge EXAFS of 3 d elements: multiple-scattering analysis and spin dynamics, H. Wende, P. Srivastava, D. Arvanitis, F. Wilhelm, L. Lemke, A. Ankudinov, J. J. Rehr, J. W. Freeland, Yu Idzerda and K. Baberschke, J. of Synchrotron Radiation 6 696 (1999).
XANES studies at the Al K-edge of aluminium-rich surface phases in the soil environment, C.S. Doyle, S. J. Traina, H. Ruppert, T. Kendelewicz, J. J. Rehr, and G.E. Brown, Jr., J. of Synchrotron Radiation 6 621 (1999).
Approximate spherical wave thermal factors in XAFS, T. Fujikawa, J. J. Rehr, Y. Wada, and S. Nagamatsu, J. of Synchrotron Radiation 6 317 (1999).
L-edge XANES of 3d-transition metals, A.I. Nesvizhskii-AI and J. J. Rehr, J. of Synchrotron Radiation 6 315 (1999).
Recursion method for multiple-scattering XAFS Debye-Waller factors, A. V. Poiarkova and J. J. Rehr, J. of Synchrotron Radiation 6 313 (1999).
XAFS Debye-Waller factors in aqueous Cr⁺³ from molecular dynamics, L. Campbell, J. J. Rehr, G.K. Schenter, M.I. McCarthy, and D. Dixon, J. of Synchrotron Radiation 6 310 (1999).
Approximate Spherical Wave Debye-Waller Factors in EXAFS and XANES Spectra,, T. Fujikawa, J. J. Rehr, Y. Wada and S. Nagamatsu, J. Phys. Soc. Japan 68 1259 (1999).
Effect of Screening on Thermonuclear Fusion in Stellar and Laboratory Plasmas, L. Wilets, B. G. Giraud, M. J. Watrous, and J. J. Rehr, Astrophys. J. 530 504 (2000).
Resonance X-ray Scattering from Pt(111) Surfaces under Water, H. You, Y.S. Chu, T.E. Lister, Z. Nagy, A.L. Ankudinov and J.J. Rehr Physica B 283 212 (2000).
Polarisation effects in hexagonal boron nitride near-edge structure: A real-space multiple scattering approach, M. Jaouen, G. Hug, B. Ravel, A. L. Ankudinov and J. J. Rehr, Europhys. Lett. 49 343 (2000).
High Order Multiple Scattering Theory of XAFS,, J. J. Rehr, A. Ankudinov and S. I. Zabinsky, in Chemical Applications of Synchrotron Radiation in press (2000).
Shape Resonances of Oriented Molecules: ab initio Theory and Experiment on Hydrocarbon Molecules, N. Haack, G. Ceballos, H. Wende, K. Baberschke, D. Arvanitis, A. L. Ankudinov and J. J. Rehr, Phys. Rev. Lett. 84 614 (2000).
Hybridization Peaks in Pt-Cl XANES, A. L. Ankudinov, J. J. Rehr and Simon R. Bare, Chem. Phys. Lett., 316 495 (2000).
Theoretical Approaches to X-ray Absorption Fine Structure, J. J. Rehr and R. C. Albers, Rev. Mod. Phys. 72 621, (2000).
Resonance X-Ray Scattering from Pt(111) Surfaces under Water, H. You, Y.S. Chu, J.A. Tanzer, T.E. Lister, and Z. Nagy, A.L. Andudinov, and J.J. Rehr, Proc. of the Sixth International Conference on Surface X-ray and Neutron Scattering (6SXNS), Noordwijkerhout, The Netherlands, 12 - Physica B 283 212 (1999).
Calculation and Interpretation of X-ray Spectroscopies with Green's Function Multiple Scattering Theory, A. L. Ankudinov, A. Nesvishskii, and J. J. Rehr, AIP Conference Proceedings 514 105 (2000).
Normalization and convergence of x-ray absorption sum rules, A. I. Nesvizhskii, A. L. Ankudinov, and J. J. Rehr, Phys. Rev. B 63, 094412 (2000).
Multiple-scattering EXAFS and EXELFS of titanium aluminum alloys, T. Sikora, G. Hug, M. Jaouen and J. J. Rehr, Phys. Rev. B 62 1723 (2000).
The X-ray K-absorption spectra of phosphorus and sulfur in InPS₄: experiment and theory, A. A. Lavrentyev, B. V. Gabrelian, V. A. Dubeiko, I. Ya. Nikiforov, and J. J. Rehr, J. Phys. Chem. Solids, 61 2061 (2000).
Theory of solid state contributions to the x-ray elastic scattering amplitude, by A. L. Ankudinov, and J. J. Rehr, Phys. Rev. B, 62 2437 (2000).
Importance of Multiple-Scattering Phenomena in XAS Structural Determinations of Ni (CN)₄² in Condensed Phases, A. Munoz-Paez, S. Diaz-Moreno, E. Sanchez Marcos, and J. J. Rehr, Inorg. Chem. 39 3784 (2000).
Experimental and theoretical x-ray K-spectra of S and zinc-blende-based compounds AgGaS₂-CdGa₂S₄-InPS₄, A. A. Lavrentyev, B. V. Gabrelian, V. A. Dubeiko, I. Ya. Nikiforov, and J. J. Rehr, J. Phys. Chem. Solids, 63 227 (2001).
Influence of metalloids on the XANES spectra of metallic glasses, A. Garcia-Arribas, M. L. Fdez-Gubieda, and J. J. Rehr, J. Non-crystalline Solids 287 60 (2001).
New Developments in the Theory of X-ray Absorption and Core Photoemission, J. J. Rehr and A. L. Ankudinov, J. Electron Spectros. Relat. Phenomena, 114 1115 (2001).
Theoretical Interpretation of XAFS and XANES in Pt Clusters, A. L. Ankudinov, J. J. Rehr, J. J. Low and S. R. Bare, Topics in Catalysis, 18 3 (2002).
Progress and Challenges in the Theory and Interpretation of X-ray Spectra, J. J. Rehr and A. L. Ankudinov, J. Synchrotron Radiation 8 61 (2001).
Shape Resonances of Oriented Molecules D. Arvanitis, N. Haack, G. Ceballos, H. Wende, K. Baberschke, D. Arvanitis, A. L. Ankudinov and J. J. Rehr, J. Electron Spectros. Relat. Phenomena 113 57 (2000).
Pt L-edge XANES as a probe of Pt clusters, A. L. Ankudinov, J. J. Rehr, J. J. Low, and S. R. Bare, J. Synchrotron Radiation 8 578 (2001).
Hole counts from x-ray absorption spectra, A. L. Ankudinov, A. I. Nesvizhskii and J. J. Rehr, J. Synchrotron Rad. 8 93 (2001).
Effect of hydrogen adsorption on the x-ray absorption spectra of small Pt clusters, A. L. Ankudinov, J. J. Rehr, J. Low, and S. R. Bare, Phys. Rev. Lett. 86 1642 (2001).
Extended x-ray absorption fine structure from hydrogen atoms in water, K. R. Wilson, J. G. Tobin, A. L. Ankudinov, J. J. Rehr and R. J. Saykally, Phys. Rev. Lett. 85 4289 (2000).
Interpretation of x-ray magnetic circular dichroism and x-ray absorption near-edge structure, A. I. Nesvizhskii, A. L. Ankudinov, J. J. Rehr, and K. Baberschke, Phys. Rev. B 62 15295 (2000).
Rapid calculation of x-ray absorption near edge structure using parallel computation, C. Bouldin, J. Sims. H. Hung, J. J. Rehr and A.L. Ankudinov, X-Ray Spectrom. 30 431 (2001).
Interference between Extrinsic and Intrinsic Losses in XAFS, L. Campbell, L. Hedin, J. J. Rehr, and W. Bardyszewski, Phys. Rev. B 65, 064107 (2002).
Parallel calculation of electron multiple scattering using Lanczos algorithms, A. L. Ankudinov, C. E. Bouldin, J. J. Rehr, J. Sims, and H. Hung, Phys. Rev. B 65, 104107 (2002).
Sensitivity of Pt X-ray absorption near edge structure to the morphology of small Pt clusters, A.L. Ankudinov, J.J. Rehr, J.J. Low, and S.R. Bare, J. Chem. Phys. 116 1911 (2002).
Partitioning method applied to X-ray Absorption Near Edge Structure Calculations, F. Fujikawa, K. Nakamura, S. Nagamatsu and J. J. Rehr, J. Phys. Soc. Jpn. 71 357 (2002).
Development of the Scattering Theory of X-ray Absorption and Core level Photoemission,, J. J. Rehr, W. Schattke, F. J. Garcia de Abajo, R. Diez Muino, and M. A. Van Hove, J. Electron Spectros. Relat. Phenomena, 126 67 (2002).
XAFS and Related Methods: Theoretical Techniques, J. J. Rehr,¹ R. C. Albers², and A. L. Ankudinov¹, in Solid State Photo Emission and Related Methods (Wiley-VCH, Weinheim, (2002).
Quadrupolar and dipolar contributions to the x-ray magnetic circular dichroism at the Tb L₃,L₂ edges: Experiment versus Theory, J. Appl. Phys. 91 7361 (2002).
Soft X-ray absorption spectroscopy at the cutting edge for nanomaterials used in heterogeneous catalysis: the state of art, D. Bazin and J. Rehr, Catalysis Letters 87 85 (2003).
New developments in the theory and interpretation of x-ray spectra based on fast, parallel calculations, J. J. Rehr and A. L. Ankudinov, J. Synchrotron Rad. 10 43 (2003).
Properties of liquid silicon observed by time-resolved x-ray absorption spectroscopy, S.L. Johnson, A.M. Lindenberg, P.A. Heimann, Z. Chang, R.WW. Lee, M.E. Garcia, H.O. Jeschke, J. J. Rehr and R.W. Falcone, Phys. Rev. Lett. 91 157403 (2003).
Limits and advantages of x-ray absorption near edge structure for nanometer scale metallic clusters, D. Bazin, and J. J. Rehr, J. Phys. Chem. B 107 12398 (2003).
Excited State Electronic Structure and the Theory of X-ray Spectra, J. J. Rehr, J. Phys.: Condens. Matter 15 S647 (2003).
Calculation and interpretation of K-shell x-ray absorption near edge structure of transition metal oxides, H. Modrow, S. Bucher, J. J. Rehr and A. L. Ankudinov, Phys. Rev. B. B 67 035123 (2003).
Dynamic screening effects in x-ray absorption spectra, A. L. Ankudinov A. I. Nesvizhskii, and J. J. Rehr, Phys. Rev. B. 67 115120 (2003).
Failure of the Quasi-particle Picture of X-ray Absorption ?, J. J. Rehr, Foundations in Physics, 33 1735 (2003).
Electron self-energy calculation using a general multi-pole approximation, J. A. Soininen, J. J. Rehr and E. L. Shirley, J. Phys.: Condens. Matter, 15 2572 (2003).
Core excitation near edge characteristics from q-dependent non-resonant x-ray Raman scattering, Y. Feng, J. A. Soininen, G. T. Seidler, J. O. Cross. A. L. Ankudinov, J. J. Rehr, A. T. Macrander, and E. L. Shirley, UW Preprint Mar, 2003
Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation, G. A. Waychunas, C. C. Fuller, J. A. Davis and J. J. Rehr, Geochimica et Cosmochimica Acta 67 1031-1043 (2003).
Mass Absorption Coefficient of Tungsten and Tantalum, 1450 eV to 2350 eV: Experiment, Theory, and Application, Z. H. Levine, S. Grantham, C. Tarrio, D. J. Paterson, I. McNulty, T. M. Levin, A. L. Ankudinov and J. J. Rehr. J. Res. Natl. Inst. Stand. Technol. 108 1 (2003).
Time-dependent Density Functional Theory Calculations of X-ray Absorption, J. J. Rehr and A. L. Ankudinov, Int. J. Quantum Chem. 95 487 (2003).
A systematic study of embedded atom EXAFS: the (2 × 1)O/Cu(110) reconstruction as an ideal prototype system, H. Wende, Ch. Litwinski, A. Scherz, T. Gleitsmann, Z. Li, C. Sorg, K. Baberschke, A. Ankudinov, J.J. Rehr, Ch. Jung., J. Phys.:Condensed Matter 15 5197 (2003).
XAFS and related methods: theoretical techniques, in Solid-State Photoemission and Related Methods: Theory and Experiment W. Schattke and M.A. Van Hove, eds., (Wiley-VCH, 2003).
Ab initio calculations of the electronic structure of the compounds AgGaS₂-CdGa₂S₄-InPS₄, A. A. Lavrentyev, B. V. Gabrelian, V. A. Dubeiko, I. Ya. Nikiforov, and J. J. Rehr, J. Phys. Chem. Solids, 64 1251 (2003).
Electronic structure and chemical bonding of phosphorus-contained sulfides InPS₄, TI₃P S₄, and Sn₂P₂S₆, A. A. Lavrentyev, B. V. Gabrelian, I. Ya. Nikifororva, J. J. Rehr, J. Phys. Chem. Solids, 64 2479 (2003).
Solid State Effects on X-ray Absorption, Emission and Scattering Processes, J. J. Rehr and A. L. Ankudinov, Radiation Physics and Chemistry, 70 453 (2004).
The role of inversion symmetry and multipole effects in non-resonant x-ray Raman scattering from icosahedral B4C Yejun Feng, G. T. Seidler, J. O. Cross, A. T. Macrander, J. J. Rehr, Phys. Rev. B. 69 125402 (2004).
Theoretical chemical contribution to the simulation of the L_III X-ray absorption edges of uranyl, neptunyl and osmyl hydrates and hydroxides, C. Den Auwer, D. Guillaumont, P. Guilbaud, S. D. Conradson, J. J. Rehr, A. Ankudinov, and E. Simoni, New J. Chem. 28 929 (2004).
Role of inversion symmetry and multipole effects in nonresonant x-ray Raman scattering from icosahedral B4C, Y. Feng, G. T. Seidler, J. O. Cross, A. T. Macrander, and J. J. Rehr, Phys. Rev. B 69 125402 (2004).
Extended x-ray absorption fine structure measurements of laser-shocked V and Ti and crystal phase transformation in Ti, B. Yaakobi, D. D. Meyerhofer, T. R. Boehly, J. J. Rehr, B. A. Remington, P. G. Allen, S. M. Pollaine and R. C. Albers, Phys. Rev. Lett. 92 095504 (2004).
Extended x-ray absorption fine structure measurements of laser shocks in Ti and V and phasetransformation in Ti, B. Yaakobi, D.D. Meyerhofer, T.R. Boehly, J. J. Rehr, B. A. Remington, P.G. Allen, SmM. Pollaine, and R.C. Albers, Physics of Plasmas, 11 2688 (2004).
Spin-dependent sum rules for x-ray absorption spectra, A. L. Ankudinov J. J. Rehr, H. Wende, A. Scherz, K. Baberschke, Europhys. Lett. 66 441, (2004).
Final-state rule vs the Bethe-Salpeter equation for deep-core x-ray absorption spectra, J.J. Rehr, J. A. Soininen, and E. L. Shirley, Physica Scripta T115 207 (2005).
First-principles ultraviolet and x-ray spectra over broad ranges, E. L. Shirley, J. A. Soininen, and J. J. Rehr, in Optical Constants of Materials for UV to X-Ray Wavelengths, edited by R. Soufli and J.F. Seely, SPIE Proceedings, Vol. 5538, pp. 125-127 (SPIE, Bellingham, WA, 2004).
Chemical Speciation via X-Ray Emission and X-Ray Fluorescence Spectra, A. L. Ankudinov, W. T. Elam and J. J. Rehr, J. Chem. Phys. (UW Preprint, June 2004).
Nonspherical potential, vibronic, and local field effects in x-ray absorption, A. L. Ankudinov and J. J. Rehr, J. Synchrotron Radiation Physica Scripta T115 24 (2005).
L₂:L₃ intensity ratio in soft x-ray emission spectra of 3d-metals, E.Z. Kurmaev, J.J. Rehr, A.L. Ankudinov, L.D. Finkelstein, P.F. Karimov, and A. Moewes, J. Electron Spectros. Relat. Phenomena 148 1 (2005).
Electronic structure of tin oxides by EELS and real-space multiple scattering calculations, M.S. Moreno, R.F. Egerton, J.J. Rehr and P.A. Midgley, Phys. Rev. B 71 035103 (2005).
Multi-pole Representation of the Dielectric Matrix, J. A. Soininen, J. J. Rehr and E. L. Shirley, Physica Scripta T115 243 (2005).
Modeling Core-Hole Screening in Core-Execitation Spectroscopies, E. L. Shirley, J. A. Soininen, and J. J. Rehr Physica Scripta, T115 31 (2005).
Lars Hedin and the Quest for a Theory of Excited States, Physica Scripta T115 19 (2005).
Progress in the Theory and Interpretation of XANES, J. J. Rehr and A. L. Ankudinov, Coordination Chemistry Reviews, 249 131 (2005).
Bayes-Turchin Approach to XAS Analysis, J. J. Rehr, J. Kozdon, J. Kas, H. J. Krappe, and H. H. Rossner, J. Synchrotron Radiation 12 70 (2005).
Combined BSE/TDDFT approach for x-ray absorption calculations, A. L. Ankudinov, Y. Takimoto, and J. J. Rehr, Phys. Rev. B 71, 165110 (2005).
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).
Temperature Dependence of Magnetic EXAFS for Rare Earth Elements, H. Wende, A. Scherz, C. Sorg, Z. Li, P. Poulopoulos, K. Baberschke, A. L. Ankudinov, J. J. Rehr, F. Wilhelm, N. Jaouen, A. Rogalev, D. L. Schlagel and T. A. Lograsso, Physica Scripta T115 600 (2005).
Resonance Anomalous Surface X-ray Scattering, Andreas Menzel, Kee-Chul Chang, Yuriy V. Tolmachev, John J. Rehr, and Hoydoo You, Radiation Physics and Chemistry (submitted July 2005).
Polarization-Dependent Resonance Anomalous Surface X-ray Scattering of CO/Pt(111), Andreas Menzel, Yuriy V. Tolmachev, Kee-Chul Chang, Vladimir Komanicky, Yong S. Chu, John J. Rehr, and Hoydoo You, (Argonne preprint, 2005 submitted to PRL).
Local environment of nitrogen in GaN_yAs_1-y epilayers on GaAs (0 0 1) studied using X-ray absorption near edge spectroscopy, J.A. Gupta, M.W.C. Dharma-wardana, A. Jürgensen, E.D. Crozier, J.J. Rehr and M. Prange, Solid State Comm. 136 351 (2005).
Chemical Speciation via X-Ray Emission Spectra, A.L. Ankudinov, W.T. Elam, J.R. Sieber, and J. J. Rehr, submitted to X-ray Spectrometry (Oct 2005).

Theory and Calculations of X-ray Spectra: XAS, XES, XRS, and NRIXS,

Ab initio calculations of inelastic losses and optical constants, J. J. Rehr, J. J. Kas, M. P. Prange, F. D. Vila, A. L. Ankudinov, L. W. Campbell, and A. P. Sorini, arXiv:cond-mat/0601241, 2006.
Bayes-Turchin Analysis of X-ray Absorption data above the Fe L_2,3-edges, H. H. Rossner, D. Schmitz, P. Imperia, H. J. Krappe and J. J. Rehr, HMI preprint (May 2006).
Nanostructures in a new league, J. J. Rehr, Nature, 440 618 (2006).
Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8, M.S. Moreno, K. Jorissen, and J.J.Rehr, Micron, (in press, 2006)
Experimental determination of the core-excited electron density of states, J.A. Soininen, A. Mattila, J. J. Rehr, S. Galambosi, and K. Hämäläinen, J. Phys.: Condens. Matter 18 7327-7336 (2006).
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, arXiv:cond-mat/0605135 (2006).
``Background proportional enhancement of the extended fine structure in nonresonant inelastic x-ray scattering," T.T. Fister, G.T. Seidler, C. Hamner, J.O. Cross, J. J. Rehr, Phys. Rev. B 74, 214117 (2006)
``Inelastic Losses and Multi-Electron Excitations in X-Ray Spectra," J. J. Rehr, J. J. Kas, M. P. Prange, A. P. Sorini, L. W. Campbell, and F. D. Vila, AIP Conf. Proc. 882, 85 (2007)
``Bayes-Turchin Analysis of Overlapping L-Edges EXAFS Data of Iron," H. H. Rossner, D. Schmitz, P. Imperia, H. J. Krappe, and J. J. Rehr, AIP Conf. Proc. 882, 69 (2007)
``Recent Developments in the Analysis of X-Ray Raman Scattering," J. A. Soininen, J. J. Rehr, A. Mattila, S. Galambosi, and K. Hämälainen, AIP Conf. Proc. 882, 102 (2007)
``Measurement of the Full XAFS Spectrum of MgO Using Nonresonant Inelastic X-ray Scattering," T. T. Fister, G. T. Seidler, J. O. Cross, J. J. Rehr, and J. A. Soininen AIP Conf. Proc. 882, 156 (2007).
``XMCD Analysis Beyond Standard Procedures," H. Wende et al., AIP Conf. Proc. 882, 78 (2007).
``Size and Shape of Rhenium Nanoparticles," N. Yang, G. E. Mickelson, N. Greenlay, S. D. Kelly, F. D. Vila, J. Kas, J. J. Rehr, and Simon R. Bare, AIP Conf. Proc. 882, 591 (2007) .
``Theoretical X-Ray Absorption Debye-Waller Factors," Fernando D. Vila, J. J. Rehr, H. H. Rossner, H. J. Krappe, Phys. Rev. B76, 014301 (2007).
``Deconvolving instrumental and intrinsic broadening in core-shell x-ray spectroscopies," T.T. Fister, G.T. Seidler, J.J. Rehr, J.J. Kas, W.T. Elam, J.O. Cross, and K.P. Nagle, Phys. Rev. B. bf75, 174106 (2007).
``Real time time-dependent density functional theory approach for frequency-dependent non-linear optical response in photonic molecules," Y. Takimoto, F. D. Vila and J. J. Rehr, J. Chem. Phys. 127, 154114 (2007).
``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).
``X-ray spectra and features of the electron energy structure of TaC, TaN, HfC, TaC0.5N0.5, and Hf0.5Ta0.5C," A. A. Lavrentev, B. V. Gabrelyan, V. B. Vorzhev, I. Y. Nikiforov, O. Yu. Khizhun, and J. J. Rehr, J. Struct. Chem. 48, 467 (2007).
``On the Frequency and Solvent Dependence of Non-Linear Optical Properties of Molecules," Yoshi Takimoto, Christine M. Isborn, B.E. Eichinger, J. J. Rehr, Xiaosong Li, and B. H. Robertson, Journal of Physical Chemistry C, 112, 8016 (2008).
``Ab initio Real Space Calculations of Electron Energy Loss Spectra," A. P. Sorini, J. J. Rehr and K. Jorissen, AIP Conference Proceedings 999, 47 (2008).
``Magic Angle in Electron Energy Loss Spectra: Relativistic and Dielectric Corrections," A. P. Sorini, J. J. Rehr, and Z. H. Levine Phys. Rev. B 77, 115126 (2008).
``Ab initio Theory and Calculations of X-ray Spectra, J. J. Rehr, J. J. Kas, M. P. Prange, A. P. Sorini, Y. Takimoto, and F. D. Vila, UW Preprint June 2008 (for Theoretical Optical Spectra, L. Reining, ed.).
``Optical to UV spectra and birefringence of SiO₂ and TiO₂: First-principles calculations with excitonic effects, H. M. Lawlwer, J. J. Rehr, F. Vila, S. D. Dalosto, E. L. Shirley and Z. H. Lawler, Phys. Rev. B 78, 205108 (2008); http://arxiv.org/pdf/0807.1920.
``The local electronic structure of aLi₃N," T.T. Fister, G.T. Seidler, E.L. Shirley, F.D. Vila, J.J. Rehr, K.P. Nagle, J.C. Linehan, and J.O. Cross, J. Chem. Phys. 129, 044702 (2008).
``Exciton spectroscopy of hexagonal boron nitride using nonresonant x-ray Raman scattering," Y. J. Feng, J. A. Soininen, A. L. Ankudinov, J. O. Cross, G. T. Seidler, A. T. Macrander, J. J. Rehr, and E. L. Shirley, Phys. Rev. B. 77, 165202 (2008).
``Dynamic structure in supported Pt nanoclusters: Real-time density functional theory and x-ray spectroscopy simulations," F. Vila, J.J. Rehr, J. Kas, R.G. Nuzzo, A.I. Frenkel, Phys. Rev. B 78, 121404(R), (2008).
``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, doi:10.1016/j.crhy.2008.08.004 (2008).
``Real space calculation of optical constants from optical to x-ray frequencies," M. P. Prange, J. J. Rehr, G. Rivas, J. J. Kas, and John W. Lawson, Phys. Rev. B. (in press) 2009; arXiv:0810.3271.
``Reducing radiation damage in macromolecular crystals at synchrotron sources," E. A. Stern, Y. Yacoby, G. T. Seidler, K. P. Nagle, M. P. Prange, A. P. Sorini, J. J. Rehr and A. Joachimiak, Acta Cryst. D65,366(2009).
``Intermediate-Range Order in Water Ices: Nonresonant inelastic x-ray scattering measurements and real-space full multiple scattering calculations," T.T. Fister, K. P. Nagle, F. D. Vila, G. T. Seidler, C. Hamner, J. O. Cross, and J. J. Rehr, Phys. Rev. B 79, 174117 (2009).
``X-ray emission spectroscopy of nitrogen-rich compounds," Fernando D. Vila, Terrence Jach, W. T. Elam, John J. Rehr, and J. D. Denlinger, UW Preprint, July 2009 (J. Phys. Chem. 2009 submitted)
``Modeling the Optical Behavior of Complex Organic Media: From Molecules to Materials" Sullivan, Philip; Rommel, Harrison; Takimoto, Yoshi; Hammond, Scott; Bale, Denise; Olbricht, Benjamin; Liao, Yi; Rehr, John; Eichinger, Bruce; Jen, Alex K-Y.; Reid, Philip; Dalton, Larry; Robinson, Bruce J. Phys. Chem. (submitted 8/31/09).