Focus Session: General Theory: Density Functional Theory and Beyond

Presentations

• Berry phase effects on electronic properties

  COFFEE_KLATCH · Invited

  March 8, 2007, 6:00 AM – March 8, 2007, 6:36 AM

  Authors

  • Qian Niu

    • University of Texas at Austin
    • Univ. of Texas at Austin
    • University of Texas at Dallas

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• Local and non-local vertex corrections in GW for extended and localized systems

  ORAL

  March 8, 2007, 6:36 AM – March 8, 2007, 6:48 AM

  Authors

  • Martin Stankovski

    • University of York

  • Andrew Morris

    • University of York

  • Benjamin Robinson

    • University of York

  • Rex Godby

    • Physics Dept University of York
    • University of York
    • University of York, U.K., and European Theoretical Spectroscopy Facility

  • Kris Delaney

    • UIUC Urbana

  • Patrick Rinke

    • Fritz-Haber-Institut Berlin

  • Ulf von Barth

    • University of Lund

  • Carl-Olof Almbladh

    • University of Lund

  • Pablo Garc\'Ia-Gonz\'alez

    • UNED Madrid

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• GW Calculations Starting from Generalized Kohn-Sham Schemes

  ORAL

  March 8, 2007, 6:48 AM – March 8, 2007, 7:00 AM

  Authors

  • Frank Fuchs

    • Friedrich-Schiller-University Jena, Germany

  • J{\"u}rgen Furth{\"u}ller

    • Friedrich-Schiller-University Jena, Germany

  • Friedhelm Bechstedt

    • Friedrich-Schiller-University Jena, Germany

  • Maxim Shishkin

    • CMS University Vienna, Austria

  • Georg Kresse

    • CMS University Vienna, Austria

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• The GW space-time formalism at finite temperatures

  ORAL

  March 8, 2007, 7:00 AM – March 8, 2007, 7:12 AM

  Authors

  • Matthieu Verstraete

    • Physics Dept University of York

  • Christoph Freysoldt

    • Fritz-Haber Institut MPG Berlin Germany

  • Patrick Rinke

    • Fritz-Haber Institut MPG Berlin Germany

  • Rex Godby

    • Physics Dept University of York
    • University of York
    • University of York, U.K., and European Theoretical Spectroscopy Facility

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• $GW$ study of f-shell systems

  ORAL

  March 8, 2007, 7:12 AM – March 8, 2007, 7:24 AM

  Authors

  • Mark van Schilfgaarde

    • School of Materials, Arizona State University
    • Arizona State University

  • Athanasios Chantis

    • Theoretical Division, Los Alamos National Laboratory

  • Takao Kotani

    • School of Materials, Arizona State University

  • Robert Albers

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory

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• Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN, InN and more

  ORAL

  March 8, 2007, 7:24 AM – March 8, 2007, 7:36 AM

  Authors

  • Patrick Rinke

    • Fritz-Haber Institut MPG Berlin Germany

  • M. Scheffler

    • Fritz-Haber-Institut der MPG, Berlin - Germany

  • A. Qteish

    • Yarmouk University, Irbid - Jordan

  • J. Neugebauer

    • for Iron Research, D\"usseldorf - Germany

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• Electron Correlation Effects And The Electronic Structures of Perovskite Ruthenates SrTi1-xRuxO3

  ORAL

  March 8, 2007, 7:36 AM – March 8, 2007, 7:48 AM

  Authors

  • Pao-An Lin

    • Institute of Physics, Academia Sinica, Taipei 11529, Taiwan

  • T.Y. Chang

    • Department of Physics, National Tsing Hua university, Hsinchu, Taiwan

  • Horng-Tay Jeng

    • Institute of Physics, Academia Sinica, Taipei 11529, Taiwan and Department of Physics, National Tsing Hua university, Hsinchu, Taiwan

  • Chen-Shiung Hsue

    • Department of Physics, National Tsing Hua university, Hsinchu, Taiwan

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• \textit{Ab initio} calculations of intrinsic and extrinsic losses in x-ray spectra

  ORAL

  March 8, 2007, 7:48 AM – March 8, 2007, 8:00 AM

  Authors

  • J. Kas

    • U. of Washington

  • M. Prange

    • U. of Washington

  • J. J. Rehr

    • U. of Washington

  • L. W. Campbell

    • PNNL

  • J. A. Soininen

    • U. of Helsinki

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• Reciprocal space calculations of EELS and XAS spectra without the supercell

  ORAL

  March 8, 2007, 8:00 AM – March 8, 2007, 8:12 AM

  Authors

  • Kevin Jorissen

    • University of Washington

  • J.J. Rehr

    • University of Washington

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• Real space, real time approach for linear and non-linear optical response of nano-scale molecules

  ORAL

  March 8, 2007, 8:12 AM – March 8, 2007, 8:24 AM

  Authors

  • Yoshinari Takimoto

    • University of Washington

  • Fernando Vila

    • University of Washington

  • J.J. Rehr

    • University of Washington

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• Assigning Spectral Features in Excitonic Spectra

  ORAL

  March 8, 2007, 8:24 AM – March 8, 2007, 8:36 AM

  Authors

  • E.L. Shirley

    • NIST
    • Optical Division, NIST, Gaithersburg, MD 20899-8441

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• A generalized Sham-Schl\"uter equation: the link between nonlocality and frequency dependence

  ORAL

  March 8, 2007, 8:36 AM – March 8, 2007, 8:48 AM

  Authors

  • Matteo Gatti

    • European Theoretical Spectroscopy Facility (ETSF) and LSI, Ecole Polytechnique, CNRS-CEA/DSM, F-91128 Palaiseau, France

  • Valerio Olevano

    • European Theoretical Spectroscopy Facility (ETSF) and LEPES, CNRS, 25 Avenue des Martyrs, F-38042 Grenoble, France

  • Lucia Reining

    • European Theoretical Spectroscopy Facility (ETSF) and LSI, Ecole Polytechnique, CNRS-CEA/DSM, F-91128 Palaiseau, France

  • Ilya V. Tokatly

    • Lehrstuhl f\"ur Theoretische Festk\"orperphysik, Universit\"at Erlangen-N\"urnberg, Staudtstrasse 7/B2, D-91054 Erlangen, Germany

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