Publications

From FEFF

Please find the most recent list of publications here



Contents

FEFF Related Publications

2009

  1. 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.
  2. 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).
  3. 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).
  4. 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)
  5. 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).

2008

  1. 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).
  2. 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).
  3. 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).
  4. 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.).
  5. 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.
  6. 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).
  7. 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).
  8. 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).
  9. `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).

2007

  1. 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)
  2. 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)
  3. 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)
  4. 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).
  5. XMCD Analysis Beyond Standard Procedures, H. Wende et al., AIP Conf. Proc. 882, 78 (2007).
  6. 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) .
  7. Theoretical X-Ray Absorption Debye-Waller Factors, Fernando D. Vila, J. J. Rehr, H. H. Rossner, H. J. Krappe, Phys. Rev. B76, 014301 (2007).
  8. 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).
  9. 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).
  10. 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).
  11. 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).

2006

  1. Nanostructures in a new league, J.J. Rehr, Nature, 440, (7084), pp. 618-19: 2006.
  2. 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.
  3. Bayes-Turchin Analysis of X-ray Absorption data above the Fe L_2,3-edges, H.H. Rossner, D. Schmitz, P. Imperia, H. Maletta, H.J. Krappe and J.J. Rehr, HMI preprint (2006).
  4. Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8, M.S. Moreno, K. Jorissen, and J.J. Rehr, Micron, in press (2006).
  5. 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).
  6. 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).
  7. 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).

2005

  1. Nonspherical potential, vibronic, and local field effects in x-ray absorption; A. L. Ankudinov and J. J. Rehr; J. Sync. Radiation Physica Scripta, vol. T115, (24): 2005.
  2. 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; Journal of Electron Spectroscopy and Related Phenomena, vol. 148, (1): 2005
  3. 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; Physical Review B, vol. 71, (3): 2005
  4. Multi-pole Representation of the Dielectric Matrix; J. A. Soininen, J. J. Rehr and E. L. Shirley; Journal of Synchrotron Radiation Physica Scripta, vol. T115, (243): 2005.
  5. Modeling Core-Hole Screening in Core-Execitation Spectroscopies; E. L. Shirley, J. A. Soininen, and J. J. Rehr; Journal of Synchrotron Radiation Physica Scripta, vol. T115, (31): 2005.
  6. Lars Hedin and the Quest for a Theory of Excited States; ; Journal of Synchrotron Radiation Physica Scripta, vol. T115, (19): 2005
  7. Progress in the Theory and Interpretation of XANES; J. J. Rehr and A. L. Ankudinov; Coordination Chemistry Reviews, vol. 249, (131): 2005
  8. Bayes-Turchin Approach to XAS Analysis; J. J. Rehr, J. Kozdon, J. Kas, H. J. Krappe, and H. H. Rossner, J. Synchrotron Radiation, vol. 12, (70): 2005.
  9. Combined BSE/TDDFT approach for x-ray absorption calculations; A. L. Ankudinov, Y. Takimoto, and J. J. Rehr; Physical Review B, vol. 71, (165110): 2005.
  10. Inelastic Scattering from Core-electrons: a Multiple Scattering Approach; J. A. Soininen, A. L. Ankudinov, and J. J. Rehr; Physical Review B, vol. 72, 045136: 2005.
  11. 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; Journal of Synchrotron Radiation Physica Scripta, vol. T115, (600): 2005.
  12. The L-2 : L-3 intensity ratio in soft X-ray emission spectra of 3d-metals; Kurmaev EZ, Ankudinov AL, Rehr JJ, et al.; Journal of Electron Spectroscopy and Related Phenomena, vol. 148 (1): 1-4, July 2005.
  13. Combined Bethe-Salpeter equations and time-dependent density-functional theory approach for x-ray absorption calculations; Ankudinov AL, Takimoto Y, Rehr JJ; Physical Review B, vol. 71 (16): Art. No. 165110, April 2005
  14. Electronic structure of tin oxides by electron energy loss spectroscopy and real-space multiple scattering calculations: Moreno MS, Egerton RF, Rehr JJ, et al.; Physical Review B, vol. 71 (3): Art. No. 035103, January 2005
  15. Analysis of the electronic structure of human hemoglobin from soft X-ray emission: Soldatov AV, Kravtsova AN, Fedorovich EN, et al.; Journal of Electron Spectroscopy and Related Phenomena, vol. 144: ppg. 279-82 Sp. Iss., June 2005
  16. Why phase-change media are fast and stable: A new approach to an old problem: Kolobov AV, Fons P, Tominaga J, et al.; Japanese Journal of Applied Physics Part 1 - Regular Papers, Short Notes, & Review Papers, vol. 44 (5B): ppg. 3345-49 Sp. Iss., May 2005
  17. 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).
  18. 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).
  19. Local environment of nitrogen in GaNyAs1-y epilayers on GaAs (0 0 1) studied using X-ray absorption near edge spectroscopy, J.A. Gupta, M.W.C. Dharma-wardana, A. Jüurgensen, E.D. Crozier, J.J. Rehr and M. Prange, Solid State Comm. vol. 136, (351): 2005.
  20. 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).
  21. Theory and Calculations of X-ray Spectra: XAS, XES, XRS, and NRIXS; J.J. Rehr, Radiation Physics and Chemistry, (accepted 2005).
  22. Simulation and theoretical modeling of L-edge XANES of transition metals, A.L. Ankudinov, and J.J. Rehr, Geochim Cosmochim Acta 69, A601 (2005).

2004

  1. Solid State Effects on X-ray Absorption, Emission and Scattering Processes; J. J. Rehr and A. L. Ankudinov; Radiation Physics and Chemistry, vol. 70, (453): 2004
  2. 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; Physical Review B, vol. 69, (125402): 2004
  3. 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 Journal of Chemistry, vol. 28, (929): 2004
  4. 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; Physical Review B, vol. 69, (125402): 2004
  5. 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; Physical Review Letters, vol. 92, (095504): 2004
  6. 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, vol. 11, (2688): 2004
  7. Spin-dependent sum rules for x-ray absorption spectra; A. L. Ankudinov J. J. Rehr, H. Wende, A. Scherz, K. Baberschke; Europhysics Letters, vol. 66, (441,): 2004
  8. First-principles ultraviolet and x-ray spectra over broad ranges; E. L. Shirley, J. A. Soininen, and J. J. Rehr; Optical Constants of Materials for UV to X-Ray Wavelengths, edited by R. Soufli and J.F. Seely, SPIE Proceedings, vol. 5538, (125-127): SPIE, Bellingham, WA, 2004
  9. 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).
  1. 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, vol. 87, (85): 2003
  2. New developments in the theory and interpretation of x-ray spectra based on fast parallel calculations; J.J. Rehr, A.L. Ankudinov, J. Synchrotron Rad., vol. 10, (43): 2003
  3. 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; Physical Review Letters, vol. 91, (157403): 2003
  4. Limits and advantages of x-ray absorption near edge structure for nanometer scale metallic clusters; D. Bazin, and J. J. Rehr; Journal of Physical Chemisty B, vol. 107 (12398): 2003
  5. Excited State Electronic Structure and the Theory of X-ray Spectra; J. J. Rehr; Journal of Physics: Condens. Matter, vol. 15, (S647): 2003
  6. 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; Physical Review B, vol. 67, (035123): 2003
  7. Dynamic screening effects in x-ray absorption spectra; A. L. Ankudinov A. I. Nesvizhskii, and J. J. Rehr; Physical Review B, vol. 67, (115120): 2003
  8. Failure of the Quasi-particle Picture of X-ray Absorption?; J. J. Rehr; Foundations in Physics, vol. 33, (1735): 2003
  9. Electron self-energy calculation using a general multi-pole approximation; J. A. Soininen, J. J. Rehr and E. L. Shirley; Journal of Physics: Condensed Matter, vol. 15, (2572): 2003
  10. 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: March, 2003
  11. 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, vol. 67, (1031-1043): 2003
  12. 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.; Journal of Res. Natl. Inst. Stand. Technol., vol. 108, (1): 2003
  13. Time-dependent Density Functional Theory Calculations of X-ray Absorption; J. J. Rehr and A. L. Ankudinov; International Journal of Quantum Chemistry, vol. 95, (487): 2003
  14. 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.; Journal of Physics: Condensed Matter, vol. 15 (5197): 2003
  15. XAFS and related methods: theoretical techniques; JSolid-State Photoemission and Related Methods: Theory and Experiment; W. Schattke and M.A. Van Hove, eds.: Wiley-VCH, 2003
  16. Ab initio calculations of the electronic structure of the compounds AgGaS2CdGa2S4InPS4; A. A. Lavrentyev, B. V. Gabrelian, V. A. Dubeiko, I. Ya. Nikiforov, and J. J. Rehr; Journal of Physical Chemistry Solids, vol. 64, (1251): 2003
  17. 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; Journal of Physical Chemistry Solids, vol. 64, (2479): 2003
  18. Crystallographic site of Mn in the icosahedral cluster of LaCo13-xMnx compounds: Asada K, Konno K, Matsuura M, Sakurai M, Fujita A, Fukamichi K; Journal of Alloys and Compounds, vol. 350 (1-2): 47-51, 17 February 2003
  19. Refinement of the nickel site structure in Desulfovibrio gigas hydrogenase using range-extended EXAFS spectroscopy: Gu WW, Jacquamet L, Patil DS, Wang HX, Evans DJ, Smith MC, Millar M, Koch S, Eichhorn DM, Latimer M, Cramer SP; Journal of Inorganic Biochemistry, vol. 93 (1-2): 41-51, 1 January 2003
  20. Consequences of x-ray absorption fine structure for quantitative core-level photoelectron spectroscopy: Karolewski MA; Surface and Interface Analysis, vol. 35 (2): 199-204, Feb. 2003
  21. X-ray absorption fine structure of ions attracted by a zwitterionic surface monolayer: Harada M, Okada T, Watanabe I; Journal of Physical Chemistry B, vol. 107 (10): 2275-80, 13 March 2003
  22. The chemical environment about Cd atoms in Cd chemical bath treated CuInSe2 and CuGaSe2: Fons P, Sakurai K, Yamada A, Matsubara K, Iwata K, Baba T, Kimura Y, Nakanishi H, Niki S; Journal of Physics and Chemistry of Solids, vol. 64 (9-10): 1733-35, Sept.-Oct. 2003
  23. Probing local order in (Ga,Mn)N alloys by X-ray absorption spectroscopy: Bacewicz R, Filipowicz J, Podsiadlo S, Szyszko T, Kaminski M; Journal of Physics and Chemistry of Solids, vol. 64 (9-10): 1469-72, Sept.-Oct. 2003
  24. Structural characterization of a novel catalyst obtained from nanoscopic NiAlx by X-ray absorption spectroscopy: Modrow H, Rahman MO, Richards R, Hormes J, Bonnemann H; Journal of Physical Chemistry B, vol. 107, no. 44: 12221-6, 6 November 2003
  25. Study of high-power GaAs-based laser diodes operation and failure by cross-sectional electrostatic force microscopy: Ankudinov, A.; Titkov, A.N.; Evtikhiev, V.P.; Kotelnikov, E.Y.; Bazhenov, N.; Zegrya, G.G.; Huhtinen, H.; Laiho, R.; Proceedings of the SPIE - The International Society for Optical Engineering, vol. 5023: 143-5, 2003
  26. Voltage distributions and nonoptical catastrophic mirror degradation in high power InGaAs/AlGaAs/GaAs lasers studied by Kelvin probe force microscopy; Ankudinov, A.V.; Evtikhiev, V.P.; Kotelnikov, E.Yu.; Titkov, A.N.; Laiho, R.; Journal of Applied Physics 93 n 1, 1 Jan. 2003, p 432-7
  27. Development of XAFS theory; A.L. Ankudinov, and J.J. Rehr, J. Sync Rad 10, 366 (2003).

2002

  1. Development of the scattering theory of X-ray absorption and core level photoemission; Rehr JJ, Schattke W, de Abajo FJG, Muino RD, Van Hove MA; Journal of Electron Spectroscopy and Related Phenomena 126 (1-3): 67-76 October 2002
  2. Comment on "Effect of hydrogen adsorption on the x-ray absorption spectra of small Pt clusters" - Reply; Ankudinov AL, Rehr JJ, Low JJ, Bare SR Physical Review Letters 89 (13): art. no. 139702 September 23 2002
  3. Theoretical interpretation of XAFS and XANES in Pt clusters Ankudinov AL, Rehr JJ, Low JJ, Bare SR; Topics in Catalysis 18 (1-2): March 7 2002
  4. Parallel calculation of electron multiple scattering using Lanczos algorithms; Ankudinov, A.L. Bouldin, C.E. Rehr, J.J. Sims, J. Hung, H.;Physical-Review-B- (Condensed-Matter-and-Materials-Physics). vol.65, no.10; 1 March 2002; p.104107/1-11
  5. Sensitivity of Pt X-ray absorption near edge structure to the morphology of small Pt clusters; Ankudinov, A.L. Rehr, J.J. Low, J.J. Bare, S.R.; Journal-of-Chemical-Physics. vol.116, no.5; 1 Feb. 2002; p.1911-19
  6. Quadrupolar and dipolar contributions to x-ray magnetic circular dichroism at the Tb L-3,L-2 edges: Experiment versus theory; Wende H, Li Z, Scherz A, Ceballos G, Baberschke K, Ankudinov A, Rehr JJ, Wilhelm F, Rogalev A, Schlagel DL, Lograsso TA; Journal of Applied Physics 91 (10): 7361-7363 Part 2 May 15 2002
  7. Interference between extrinsic and intrinsic losses in X-ray absorption fine structure; Campbell, L. Hedin, L. Rehr, J.J. Bardyszewski, W.; Physical-Review-B-(Condensed-Matter- and-Materials-Physics). vol.65, no.6; 1 February 2002; p.064107/1-13
  8. Partitioning method applied to X-ray absorption near edge structure calculations; Fujikawa T, Nakamura K, Nagamatsu S, Rehr JJ, Journal of the Physical Society of Japan 71 (1): 357-362 January 2002
  9. Experimental and theoretical X-ray K-spectra of sulfur of zincblende-based compounds AgGaS/sub 2/-CdGa/sub 2/S/sub 4/-InPS/sub 4/; Lavrentyev, A.A. Gabrelian, B.V. Dubeiko, V.A. Nikiforov, I.Ya. Rehr, J.J.; Journal-of-the-Physics-and-Chemistry-of-Solids. vol.63, no.2; Feb. 2002; p.227-31

2001

  1. Rapid calculation of X-ray absorption near edge structure using parallel computation; Bouldin, C. Sims, J. Hung, H. Rehr, J.J. Ankudinov, A.L.; X-Ray-Spectrometry. vol.30, no.6; Nov.-Dec. 2001; p.431-4
  2. Influence of metalloids on the XANES spectra of metallic glasses; Garcia-Arribas, A. Fdez-Gubieda, M.L. Rehr, J.J.; Journal-of-Non-Crystalline-Solids. vol.287, no.1-3; July 2001; p.60-4
  3. Experimental and theoretical study of the electronic structures of Ni/sub 3/Al, Ni/sub 3/Ga, Ni/sub 3/In and NiGa; Hsu, L. S. Nesvizhskii, A.I.; Journal-of-the- Physics-and-Chemistry-of-Solids. vol.62, no.6; June 2001; p.1103-9
  4. Pt L-edge XANES as a probe of Pt clusters; Ankudinov, A.L. Rehr, J.J. Low, J.J. Bare, S.R.; Journal-of-Synchrotron-Radiation. vol.8, pt.2; 1 March 2001; p.578-80
  5. The use of the FEFF8 code to calculate the XANES and electron density of states of some sulfides; Lavrentyev, A.A. Nikiforov, I.Ya. Dubeiko, V.A. Gabrelian, B.V. Rehr, J.J.; Journal-of-Synchrotron-Radiation. vol.8, pt.2; 1 March 2001; p.288-90
  6. New developments in the theory of X-ray absorption and core photoemission; Rehr, J.J. Ankudinov, A.L.; Journal-of-Electron-Spectroscopy-and-Related-Phenomena. vol.114-116; March 2001; p.1115-21
  7. Hole counts from X-ray absorption spectra; Ankudinov, A.L. Nesvizhskii, A.I. Rehr, J.J.; Journal-of-Synchrotron-Radiation. vol.8, pt.2; 1 March 2001; p.92-5
  8. Progress and challenges in the theory and interpretation of X-ray spectra; Rehr, J.J. Ankudinov, A.L.; Journal-of-Synchrotron-Radiation. vol.8, pt.2; 1 March 2001; p.61-5
  9. Normalization and convergence of X-ray absorption sum rules; Nesvizhskii, A.I. Ankudinov, A.L. Rehr, J.J.; Physical-Review-B-(Condensed-Matter-and-Materials-Physics). vol.63, no.9; 1 March 2001; p.094412/1-5
  10. Effect of hydrogen adsorption on the X-ray absorption spectra of small Pt clusters; Ankudinov, A.L. Rehr, J.J. Low, J. Bare, S.R.; Physical-Review-Letters. vol.86, no.8; 19 Feb. 2001; p.1642-5

2000

  1. Shape resonances of oriented molecules; Arvanitis, D. Haack, N. Ceballos, G. Wende, H. Baberschke, K. Ankudinov, A.L. Rehr, J.J.; Journal-of-Electron-Spectroscopy-and-Related-Phenomena. vol.113, no.1; Dec. 2000; p.57-65
  2. Interpretation of X-ray magnetic circular dichroism and X-ray absorption near-edge structure in Ni; Nesvizhskii, A.I. Ankudinov, A.L. Rehr, J.J. Baberschke, K.; Physical-Review-B-(Condensed-Matter). vol.62, no.23; 15 Dec. 2000; p.15295-8
  3. Extended X-ray absorption fine structure from hydrogen atoms in water; Wilson, K.R. Tobin, J.G. Ankudinov, A.L. Rehr, J.J. Saykally, R.J.; Physical-Review-Letters. vol.85, no.20; 13 Nov. 2000; p.4289-92
  4. Theory of solid-state contributions to the X-ray elastic scattering amplitude; Ankudinov, A.L. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.62, no.4; 15 July 2000; p.2437-45
  5. Polarisation effects in hexagonal boron nitride near-edge structure: a real-space multiple scattering approach; Jaouen, M. Hug, G. Ravel, B. Ankudinov, A.L. Rehr, J.J.; Europhysics-Letters. vol.49, no.3; 1 Feb. 2000; p.343-9
  6. Hybridization peaks in Pt-Cl XANES; Ankudinov, A.L. Rehr, J.J. Bare, S.R.; Chemical-Physics-Letters. vol.316, no.5-6; 21 Jan. 2000; p.495-500
  7. Shape resonances of oriented molecules: ab initio theory and experiment on hydrocarbon molecules; Haack, N. Ceballos, G. Wende, H. Baberschke, K. Arvanitis, D. Ankudinov, A.L. Rehr, J.J.; Physical-Review-Letters. vol.84, no.4; 24 Jan. 2000; p.614-17
  8. Calculation and interpretation of X-ray spectroscopies with Green's function multiple scattering theory; Ankudinov, A.L. Nesvishskii, A. Rehr, J.J.; AIP-Conference-Proceedings. no.514; 2000; p.105-9

1999

  1. Combined EXAFS and first-principles theory study of Pb/sub 1-x/Ge/sub x/Te; Ravel, B. Cockayne, E. Newville, M. Rabe, K.M.; Physical-Review-B-(Condensed-Matter). vol.60, no.21; 1 Dec. 1999; p.14632-42
  2. L-edge XANES of 3d-transition metals; Nesvizhskii, A.I. Rehr, J.J.; Journal-of-Synchrotron-Radiation. vol.6, no.3; 1 May 1999; p.315-16
  3. Recursion method for multiple-scattering XAFS Debye-Waller factors; Poiarkova, A.V. Rehr, J.J.; Journal-of-Synchrotron-Radiation.vol.6, no.3; 1 May 1999; p.313-14
  4. XAFS Debye-Waller factors in aqueous Cr/sup +3/ from molecular dynamics; Campbell, L. Rehr, J.J. Schenter, G.K. McCarthy, M.I. Dixon, D.; Journal-of-Synchrotron-Radiation. vol.6, no.3; 1 May 1999; p.310-12
  5. Multiple-scattering X-ray-absorption fine-structure Debye-Waller factor calculations; Poiarkova, A.V. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.59, no.2; 1 Jan. 1999; p.948-57

1998

  1. Inclusion of local structure effects in theoretical X-ray resonant scattering amplitudes using ab initio X-ray-absorption spectra calculations; Cross, J.O. Newville, M. Rehr, J.J. Sorensen, L.B. Bouldin, C.E. Watson, G. Gouder, T. Lander, G.H. Bell, M.I.; Physical-Review-B-(Condensed-Matter). vol.58, no.17; 1 Nov. 1998; p.11215-25
  2. Real-space multiple-scattering calculation and interpretation of X-ray -absorption near-edge structure; Ankudinov, A.L. Ravel, B. Rehr, J.J. Conradson, S.D.; Physical-Review-B-(Condensed-Matter). vol.58, no.12; 15 Sept. 1998; p.7565-76
  3. Relativistic XANES calculations of Pu hydrates; Ankudinov, A.L. Conradson, S.D. Murstre de Leon, J. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.57, no.13; 1 April 1998; p.7518-25
  4. A. Ankudinov, B. Ravel, J.J. Rehr, and S. Conradson, Phys. Rev. B 58, 7565 (1998)
  5. XMCD (X-ray Magnetic Circular Dichroism), 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)

1997

  1. Relativistic calculations of spin-dependent X-ray-absorption spectra; Ankudinov, A.L. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.56, no.4; 15 July 1997; p.R1712-15
  2. Co-refinement of diffraction anomalous fine-structure data; Newville, M. Cross, J.O. Ravel, B. Sorensen, L.B. Bouldin, C.E. Yacoby, Y.; Journal-de-Physique-IV-(Colloque). vol.7, no.C2, pt.2; April 1997; p.759-60
  3. Extended fine structures in diamond and related materials; Jaouen, M. Rehr, J.J. Ravel, B.; Journal-de-Physique-IV-(Colloque). vol.7, no.C2; April 1997; p.265-6
  4. Full multiple scattering XANES calculations; Ravel, B. Rehr, J.J.; Journal-de-Physique-IV-(Colloque). vol.7, no.C2; April 1997; p.229-30
  5. Ab initio XAFS Debye-Waller factors; Poiarkova, A.V. Rehr, J.J.; Journal-de-Physique-IV-(Colloque). vol.7, no.C2; April 1997; p.155-6
  6. Non-local self-energy models for XAS; Ankudinov, A.L. Rehr, J.J.; Journal-de-Physique-IV-(Colloque). vol.7, no.C2; April 1997; p.121-4
  7. A. L. Ankudinov and J. J. Rehr, Phys. Rev. B 56, R1712 (1997)
  8. Debye Waller Factors, Nguyen Van Hung and J. J. Rehr, Phys. Rev. B 56, 43 (1997)

1996

  1. Single configuration Dirac-Fock atom code; Ankudinov, A.L. Zabinsky, S.I. Rehr, J.J.; Computer-Physics-Communications. vol.98, no.3; Nov. 1996; p.359-64
  2. Reply to "Comment on `X-ray-absorption fine structure in embedded atoms`"; Rehr, J.J. Booth, C.H. Bridges, F. Zabinsky, S.I.; Physical-Review-B-(Condensed-Matter). vol.53, no.14; 1 April 1996; p.9468-70

1995

  1. Multiple-scattering calculations of X-ray-absorption spectra; Zabinsky, S.I. Rehr, J.J. Ankudinov, A. Albers, R.C. Eller, M.J.; Physical-Review-B-(Condensed-Matter). vol.52, no.4; 15 July 1995; p.2995-3009
  2. Order disorder elements in antiferrodistortive phase transitions; Rechav, B. Yacoby, Y. Stern, E.A. Rehr, J.J. Newville, M.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.325-6
  3. The ferroelectric phase transition in PbTiO/sub 3/ from a local perspective; Sicron, N. Ravel, B. Yacoby, Y. Stern, E.A. Dogan, F. Rehr, J.J.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.319-20
  4. Order and disorder in structural phase transitions; Yacoby, Y. Rechav, B. Sicron, N. Stern, E.A. Rehr, J.J. Ravel, B.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.259-62
  5. The UWXAFS analysis package: philosophy and details; Sternn, E.A. Newville, M. Ravel, B. Yacoby, Y. Haskel, D.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.117-20
  6. Atomic-XAFS and XANES; Rehr, J.J. Zabinsky, S.I. Ankudinov, A. Albers, R.C.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.23-6
  7. Analysis of multiple-scattering XAFS data using theoretical standards; Newville, M. Ravel, B. Haskel, D. Rehr, J.J. Stern, E.A. Yacoby, Y.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.154-6
  8. Single and multiple scattering XAFS in BaZrO/sub 3/: a comparison between theory and experiment; Haskel, D. Ravel, B. Newville, M. Stern, E.A.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.151-3
  9. Analysis of DAFS fine structure and background; Ravel, B. Newville, M. Cross, J.O. Bouldin, C.E.; Physica-B. vol.208-209, no.1-4; 1 March 1995; p.145-7
  10. Order-disorder behavior in the phase transition of PbTiO/sub 3/; Ravel, B. Sicron, N. Yacoby, Y. Stern, E.A. Dogan, F. Rehr, J.J.; Ferroelectrics. vol.164, no.1-3; 1995; p.265-77
  11. S. I. Zabinsky, J. J. Rehr, A. Ankudinov, R. C. Albers and M. J. Eller, Phys. Rev. B 52, 2995 (1995)
  12. XMCD (X-ray Magnetic Circular Dichroism), A. Ankudinov and J. J. Rehr, Phys. Rev. B 51, 1282 (1995)
  13. XMCD (X-ray Magnetic Circular Dichroism), A. Ankudinov and J. J. Rehr, Phys. Rev. B 52, 10214 (1995)

1994

  1. Nature of the ferroelectric phase transition in PbTiO/sub 3/; Sicron, N. Ravel, B. Yacoby, Y. Stern, E.A. Dogan, F. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.50, no.18; 1 Nov. 1994; p.13168-80
  2. X-ray-absorption fine structure in embedded atoms; Rehr, J.J. Booth, C.H. Bridges, F. Zabinsky, S.I.; Physical-Review-B-(Condensed-Matter). vol.49, no.17; 1 May 1994; p.12347-50
  3. Local structural distortions below and above the antiferrodistortive phase transition; Rechav, B. Yacoby, Y. Stern, E.A. Rehr, J.J. Newville, M.; Physical-Review-Letters. vol.72, no.9; 28 Feb. 1994; p.1352-5
  4. P. A. O'Day, J. J. Rehr, S. I. Zabinsky, and G. E. Brown, Jr., J. Am. Chem. Soc. 116, 2938 (1994)
  5. O. Heckmann, H. Magnan, P. le Fevre, D. Chandesris, and J. J. Rehr, Surf. Sci. 312, 62 (1994)
  6. G. Pfeiffer, J. J. Rehr, and D. E. Sayers, submitted to Phys. Rev. B, 1994
  7. H. Wende, J. J. Rehr, D. Arvanitis, L. Tröger, T. Lederer, M. Tischer, K. Baberschke, A. Ankudinov, M. Newville, and S. I. Zabinsky, unpublished, 1994
  8. M. Vaarkampe, I. Dring, R. J. Oldman, E. A. Stern and D. C. Koningsberger, Phys. Rev. B 50, 7872 (1994)
  9. J. J. Rehr, Surf. Rev. and Lett.. in press
  10. XMCD (X-ray Magnetic Circular Dichroism), A. Ankudinov and J. J. Rehr, Circular Magnetic Dichroism Fine Structure University of Washington preprint, 1994

1993

  1. Near-edge X-ray-absorption fine structure of Pb: a comparison of theory and experiment; Newville, M. Livins, P. Yacoby, Y. Rehr, J.J. Stern, E.A.; Physical-Review-B-(Condensed-Matter). vol.47, no.21; 1 June 1993; p.14126-31
  2. Structural disorder in oxygen perovskite crystals; Bechav, B. Sicron, N. Yacoby, Y. Ravel, B. Newville, M. Stern, E.A.; Physica-C. vol.209, no.1-3; 20 April 1993; p.55-8
  3. S. I. Zabinsky, Ph.D. thesis, University of Washington, 1993
  4. C. Dagg, L. Tröger, C. Arvantis, and K. Baberschke, J. Phys.: Condensed Matter 5, 6845 (1993)
  5. A. I. Frenkel, E. A. Stern, M. Qian, and M. Newville, Phys. Rev. B 48, 12449 (1993)
  6. M. Newville, P. Livins , Y. Yacoby. J. J. Rehr, and E. A. Stern, Phys. Rev. B 47, 14126 (1993)
  7. Debye Waller Factors, A.I.Frenkel and J.J. Rehr, Phys. Rev. B 48, 585 (1993)
  8. DAFS (Diffraction Anomalous Fine Structure), H. Stragier, J. O. Cross J. J. Rehr L. B. Sorensen C. E. Bouldin and J. C. Woicik, Phys. Rev. Lett. 69, 3064 (1992).
  9. DAFS (Diffraction Anomalous Fine Structure), 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)

1992

  1. High-order multiple-scattering calculations of X-ray absorption fine structure; Rehr, J.J. Albers, R.C. Zabinsky, S.I.; Physical-Review-Letters. vol.69, no.23; 7 Dec. 1992; p.3397-400
  2. J.J. Rehr, R.C. Albers, and S.I. Zabinsky, Phys. Rev. Lett. 69, 3397 (1992)
  3. DAFS (Diffraction Anomalous Fine Structure), H. Stragier, J. O. Cross J. J. Rehr L. B. Sorensen C. E. Bouldin and J. C. Woicik, Phys. Rev. Lett. 69, 3064 (1992)
  4. XPD (Xray Photoelectron Diffraction), A.-B. Yang, F.C. Brown, J.J. Rehr, M.G. Mason, and Y.T. Tan, Phys. Rev. B 45, 6188 (1992)

1991

  1. Off-center displacement of the Nb ions below and above the ferroelectric phase transition of KTa/sub 0.91/Nb/sub 0.09/O/sub 3/; Hanske-Petitpierre, O. Yacoby, Y. Mustre de Leon, J. Stern, E.A. Rehr, J.J.; Physical-Review-B-(Condensed-Matter). vol.44, no.13; 1 Oct. 1991; p.6700-7
  2. Ab initio curved-wave X-ray-absorption fine structure; Mustre de Leon, J. Rehr, J.J. Zabinsky, S.I. Albers, R.C.
  3. J.J. Rehr, J. Mustre de Leon, S.I. Zabinsky, and R.C. Albers, J. Am. Chem. Soc. 113, 5136 (1991)
  4. J. Mustre de Leon, J.J. Rehr, S.I. Zabinsky, and R.C. Albers, Phys. Rev. B 44, 4146 (1991)
  5. XPD (Xray Photoelectron Diffraction), A. P. Kaduwela, D. J. Friedman, and C. S. Fadley, J. Electron Spectr. Relat. Phen. 57, 223 (1991)

1990

  1. Scattering-matrix formulation of curved-wave multiple-scattering theory: Application to x-ray-absorption fine structure, J. J. Rehr and R. C. Albers,Phys. Rev. B 41, 8139 (1990)

1986

  1. New high-energy approximation for x-ray-absorption near-edge structure, J.J. Rehr, R.C. Albers, C.R. Natoli, and E.A. Stern,Phys. Rev. B 34 4350 (1986)
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