Electronic Structure I

Presentations

• Tight binding calculations of vibrational and thermal properties of amorphous silicon

  ORAL

  March 15, 2006, 8:00 AM – March 15, 2006, 8:12 AM

  Authors

  • Joseph Feldman

    • Naval Research Laboratory and George Mason University
    • Center for Computational Materials Science, Naval Research Laboratory, and School of Computational Sciences, George Mason University

  • Michael Mehl

    • Naval Research Laboratory

  • Dimitris Papaconstantopoulos

    • Naval Research Laboratory and George Mason University

  • Noam Bernstein

    • Naval Research Laboratory

  View abstract →

• Manifestation of Negative Compressibility in Low-Density Electron Liquids: Anomaly in the Ion-Pair Distribution Function in Supercritical Fluid Rb

  ORAL

  March 15, 2006, 8:12 AM – March 15, 2006, 8:24 AM

  Authors

  • Yasutami Takada

    • ISSP, Univ. of Tokyo

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• Finite temperature quasiparticle self-consistent GW approximation

  ORAL

  March 15, 2006, 8:24 AM – March 15, 2006, 8:36 AM

  Authors

  • Sergey Faleev

    • Sandia National Laboratories

  • Mark van Schilfgaarde

  • Takao Kotani

    • Arizona State University

  • Francois Leonard

  • Michael Desjarlais

    • Sandia National Laboratories

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• Iterative minimization by Kohn--Sham inversion and potential mixing

  ORAL

  March 15, 2006, 8:36 AM – March 15, 2006, 8:48 AM

  Authors

  • Roope Astala

  • Malcolm Stott

    • Dept. of Physics, Queen's University
    • Department of Physics, Queen's University, Kingston, Ontario, Canada

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• Atomic Forces and Geometry Optimisation with the {\sc onetep} Linear-Scaling DFT Method

  ORAL

  March 15, 2006, 8:48 AM – March 15, 2006, 9:00 AM

  Authors

  • Arash Mostofi

    • Massachusetts Institute of Technology, USA
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology

  • Peter Haynes

    • Cavendish Laboratory, University of Cambridge, UK

  • Chris-Kriton Skylaris

    • Physical and Theoretical Chemistry Laboratory, University of Oxford, UK

  • Mike Payne

    • Cavendish Laboratory, University of Cambridge, UK

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• Optimized norm-conserving Hartree-Fock pseudopotentials

  ORAL

  March 15, 2006, 9:00 AM – March 15, 2006, 9:12 AM

  Authors

  • Eric J. Walter

    • College of William and Mary, VA
    • College of William and Mary

  • Wissam A. Al-Saidi

    • College of William and Mary

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• Effect of Ti and metal vacancies on the dehydrogenation of Na$_{3}$AlH$_{6}$

  ORAL

  March 15, 2006, 9:12 AM – March 15, 2006, 9:24 AM

  Authors

  • Sa Li

  • Puru Jena

    • Virginia Commonwealth University

  • Rajeev Ahuja

    • Uppsala University

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• Excitation Energies from Time-Dependent Density Functional Theory within Modified Linear Response: Inclusion of the Electron-Hole Hartree-Fock Interaction

  ORAL

  March 15, 2006, 9:24 AM – March 15, 2006, 9:36 AM

  Authors

  • Chunping Hu

  • Osamu Sugino

    • Institute for Solid State Physics, Tokyo University
    • Institute for Solid State Physics, University of Tokyo, and also CREST, Japan Science and Technology Agency

  • Yoshiyuki Miyamoto

    • Fundamental and Environmental Research Lab., NEC Corp.
    • NEC Corporation
    • Fundamental and Environmental Res. Labs, NEC, Japan
    • Fundamental and Environmental Res. Labs. NEC

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• Quasiparticle Corrections to the Electronic Properties of Point Defects

  ORAL

  March 15, 2006, 9:36 AM – March 15, 2006, 9:48 AM

  Authors

  • Arno Schindlmayr

    • Forschungszentrum J\"ulich and Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

  • Magnus Hedstr\"om

  • Philipp Eggert

  • Matthias Scheffler

    • Fritz-Haber-Institut, Berlin, Germany
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
    • Fritz-Haber Institut der Max-Planck-Gesellschaft, Berlin, Germany

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• Probing the Ab-initio Fermi Surface Efficiently using Wannier Interpolation

  ORAL

  March 15, 2006, 9:48 AM – March 15, 2006, 10:00 AM

  Authors

  • Jonathan Yates

    • University of California, Berkeley

  • Ivo Souza

    • UC Berkeley
    • University of California, Berkeley
    • LBNL and University of California, Berkeley

  • Xinjie Wang

  • David Vanderbilt

    • Rutgers University

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• Nonlinear Optical Response of Polar Semiconductors in the Terahertz Range

  ORAL

  March 15, 2006, 10:00 AM – March 15, 2006, 10:12 AM

  Authors

  • Eric Roman

  • Jonathan Yates

    • University of California, Berkeley

  • Marek Veithen

    • Universit\'{e} de Li\`{e}ge

  • David Vanderbilt

    • Rutgers University

  • Ivo Souza

    • UC Berkeley
    • University of California, Berkeley
    • LBNL and University of California, Berkeley

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• Breathing oscillations accompanying Bloch oscillations of wavepackets in periodic potentials

  ORAL

  March 15, 2006, 10:12 AM – March 15, 2006, 10:24 AM

  Authors

  • Miguel Pruneda

    • UC Berkeley

  • Ivo Souza

    • UC Berkeley
    • University of California, Berkeley
    • LBNL and University of California, Berkeley

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• Nonadiabatic Transition in the Quantum Hall Effect

  ORAL

  March 15, 2006, 10:24 AM – March 15, 2006, 10:36 AM

  Authors

  • Manabu Machida

  • Naomichi Hatano

    • IIS. Univ. of Tokyo
    • IIS, University of Tokyo

  • Jun Goryo

    • Aoyama Gakuin University

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