Electronic Structure I

Presentations

• ABSTRACT WITHDRAWN

  March 21, 2011, 2:30 PM – March 21, 2011, 2:42 PM

  View abstract →

• ABSTRACT WITHDRAWN

  March 21, 2011, 2:42 PM – March 21, 2011, 2:54 PM

  View abstract →

• ABSTRACT WITHDRAWN

  March 21, 2011, 2:54 PM – March 21, 2011, 3:06 PM

  View abstract →

• Unfolding first-principles band structures

  ORAL

  March 21, 2011, 3:06 PM – March 21, 2011, 3:18 PM

  Authors

  • Wei Ku

    • Brookhaven National Laboratory
    • Brookhaven National Laboratory; Stony Brook University

  • T. Berlijn

    • Brookhaven National Laboratory; Stony Brook University

  • C.-C. Lee

    • Brookhaven National Laboratory

  View abstract →

• ABSTRACT WITHDRAWN

  March 21, 2011, 3:18 PM – March 21, 2011, 3:30 PM

  View abstract →

• ABSTRACT WITHDRAWN

  March 21, 2011, 3:30 PM – March 21, 2011, 3:42 PM

  View abstract →

• Finite-basis correction applied to the optimized effective potential within the FLAPW method

  ORAL

  March 21, 2011, 3:42 PM – March 21, 2011, 3:54 PM

  Authors

  • Christoph Friedrich

    • Institut fuer Festkoerperforschung and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany

  • Markus Betzinger

    • Institut fuer Festkoerperforschung and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany

  • Stefan Bl\"ugel

    • Institut fuer Festkoerperforschung and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany

  View abstract →

• ABSTRACT WITHDRAWN

  March 21, 2011, 3:54 PM – March 21, 2011, 4:06 PM

  View abstract →

• ESTEST: A Framework for the Verification and Validation of Electronic Structure Codes

  ORAL

  March 21, 2011, 4:06 PM – March 21, 2011, 4:18 PM

  Authors

  • Gary Yuan

    • University of California Davis, Davis, CA95616

  • Francois Gygi

    • Department of Applied Science \& Department of Computer Science, University of California, Davis
    • Department of Applied Science and Department of Computer Science, UC Davis
    • University of California Davis, Davis, CA95616
    • Univeristy of California, Davis

  View abstract →

• The random phase approximation and beyond: an assessment for molecular binding energies and reaction barrier heights

  ORAL

  March 21, 2011, 4:18 PM – March 21, 2011, 4:30 PM

  Authors

  • Xinguo Ren

  • Patrick Rinke

  • Matthias Scheffler

    • Fritz Haber Institute (Berlin)

  • Joachim Paier

    • Humboldt University (Berlin)

  • Andreas Gr{\"u}eneis

  • Georg Kresse

    • University of Vienna (Vienna)

  • Gustavo E. Scuseria

    • Rice University (Houston)

  View abstract →

• Approximating Densities of States with Gaps

  ORAL

  March 21, 2011, 4:30 PM – March 21, 2011, 4:42 PM

  Authors

  • Roger Haydock

    • Department of Physics, University of Oregon, Eugene, OR 97403-1274
    • Department of Physics and Materials Science Institute, University of Oregon

  • C.M.M. Nex

    • Department of Physics and Materials Science Institute, University of Oregon

  View abstract →

• A New Boundary Condition for Embedding Atoms in Solids

  ORAL

  March 21, 2011, 4:42 PM – March 21, 2011, 4:54 PM

  Authors

  • G.A. Benesh

    • Department of Physics, Baylor University, Waco, TX 76798-7316

  • Roger Haydock

    • Department of Physics, University of Oregon, Eugene, OR 97403-1274
    • Department of Physics and Materials Science Institute, University of Oregon

  View abstract →

• Reference Calculation of Temperature-dependent Behavior of Confined Many-electron Systems

  ORAL

  March 21, 2011, 4:54 PM – March 21, 2011, 5:06 PM

  Authors

  • Frank E. Harris

    • University of Florida

  • Travis Sjostrom

    • Physics, QTP, U. Florida
    • Physics, QTP, Univ. Florida
    • University of Florida

  View abstract →

• Finite-temperature Exchange and Correlation Functionals in Self-Consistent Calculations

  ORAL

  March 21, 2011, 5:06 PM – March 21, 2011, 5:18 PM

  Authors

  • Travis Sjostrom

    • Physics, QTP, U. Florida
    • Physics, QTP, Univ. Florida
    • University of Florida

  • V.V. Karasiev

    • Physics, QTP, Univ. Florida
    • University of Florida

  • S.B. Trickey

    • Physics, QTP, U. Florida
    • Physics, QTP, Univ. Florida
    • University of Florida

  View abstract →

• Finite Temperature Scaling of the Non-interacting Free Energy Density Functional

  ORAL

  March 21, 2011, 5:18 PM – March 21, 2011, 5:30 PM

  Authors

  • James Dufty

    • Physics, U. Florida
    • Physics, Univ. Florida
    • University of Florida

  • V.V. Karasiev

    • Physics, Univ. Florida

  • S.B. Trickey

    • Physics, Univ. Florida

  View abstract →