Electronic Structure

Presentations

• Nearsightedness of Electronic Matter

  ORAL

  March 23, 2005, 11:30 AM – March 23, 2005, 11:42 AM

  Authors

  • Emil Prodan

    • University of California at Santa Barbara
    • University of California, Santa Barbara

  • Walter Kohn

    • UCSB

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• Static Electricity in Sublimated CO2 Gas -- One in a Class of Phenomena

  ORAL

  March 23, 2005, 11:42 AM – March 23, 2005, 11:54 AM

  Authors

  • Chung Liao Feng

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• First-Principle Perturbative Computation of Phonon Properties of Insulators in Finite Electric Fields

  ORAL

  March 23, 2005, 11:54 AM – March 23, 2005, 12:06 PM

  Authors

  • Xinjie Wang

  • David Vanderbilt

    • Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854-8019, USA
    • Department of Physics and Astronomy Rutgers, The State University of New Jersey, NJ 08854-8019, USA
    • Rutgers University
    • Rutgers University,NJ

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• Relativistic correction to the single-particle kinetic energy term

  ORAL

  March 23, 2005, 12:06 PM – March 23, 2005, 12:18 PM

  Authors

  • Mark Pederson

    • Naval Research Laboratory
    • Naval Research Laboratory, Washington, DC 20375
    • Code 6392, Naval Research Laboratory, Washington DC

  • Tunna Baruah

    • Naval Research Laboratory
    • Code 6392, Naval Research Laboratory, Washington DC

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• Calculation of Raman and infrared spectra by coherent-phonon stimulation

  ORAL

  March 23, 2005, 12:18 PM – March 23, 2005, 12:30 PM

  Authors

  • Jonathan Yates

    • University of California, Berkeley and Lawrence Berkeley National Laboratory

  • Ivo Souza

    • University of California, Berkeley and Lawrence Berkeley National Laboratory
    • University of California, Berkeley, and Lawrence Berkeley National Laboratory

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• Exponentially localized quasi-free-particle generalized Wannier functions

  ORAL

  March 23, 2005, 12:30 PM – March 23, 2005, 12:42 PM

  Authors

  • Bradley A. Foreman

    • Hong Kong University of Science and Technology

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• Ab initio electronic structure calculations of metals by the finite element method

  ORAL

  March 23, 2005, 12:42 PM – March 23, 2005, 12:54 PM

  Authors

  • John E. Pask

  • Philip A. Sterne

    • University of California, Lawrence Livermore National Laboratory, USA

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• Electronic structure of Cu$_2$O within GW approximation

  ORAL

  March 23, 2005, 12:54 PM – March 23, 2005, 1:06 PM

  Authors

  • Fabien Bruneval

    • Ecole Polytechnique, CEA, CNRS
    • Ecole Polytechnique, CEA, CNRS, Palaiseau

  • Nathalie Vast

  • Lucia Reining

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• Compact representation of the Green function of an infinite periodic system

  ORAL

  March 23, 2005, 1:06 PM – March 23, 2005, 1:18 PM

  Authors

  • Jonathan E. Moussa

  • Marvin L. Cohen

    • Department of Physics, University of California at Berkeley, Berkeley CA 94720
    • UC Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Phys. Dept./UC Berkeley
    • University of California, Berkeley, and Lawrence Berkeley National Laboratory

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• Combining quasiparticle energy calculations with exact-exchange density-functional theory

  ORAL

  March 23, 2005, 1:18 PM – March 23, 2005, 1:30 PM

  Authors

  • P. Rinke

  • Christoph Freysoldt

  • Matthias Scheffler

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

  • Abdallah Qteish

    • Yarmouk University, Irbid - Jordan

  • J\"org Neugebauer

    • University of Paderborn, Germany

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• QuasiParticle Self-Consistent, $GW$ Theory

  ORAL

  March 23, 2005, 1:30 PM – March 23, 2005, 1:42 PM

  Authors

  • Takao Kotani

    • Osaka University

  • Mark van Schilfgaarde

    • Arizona State University

  • Sergey Faleev

    • Sandia National Labs

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• Band structure of wurtzite quantum dots with cylindrical symmetry

  ORAL

  March 23, 2005, 1:42 PM – March 23, 2005, 1:54 PM

  Authors

  • Lok C. Lew Yan Voon

    • Wright State University
    • Department of Physics, Wright State University, USA

  • Calin Galeriu

    • Worcester Polytechnic Institute

  • Benny Lassen

  • Morten Willatzen

  • Roderick Melnik

    • University of Southern Denmark

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• Electronic Properties of Small Virtual Clusters of Ga and In with As and P atoms

  ORAL

  March 23, 2005, 1:54 PM – March 23, 2005, 2:06 PM

  Authors

  • Liudmila Pozhar

    • Western Kentucky University, Department of Chemistry, Bowling Green, KY 42101

  • Alan Yeates

  • Frank Szmulowicz

  • William Mitchel

    • Air Force Research Lab, Materials and Manufacturing Directorate, Wright-Patterson AFB, OH 45433

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• Superbox method for order-N electronic structure calculations for very large systems

  ORAL

  Authors

  • Kalman Varga

    • Physics Depertment, University of Tennessee, and Condensed Matter Science Division, Oak Ridge National Laboratory

  • S.T. Pantelides

    • Vanderbilt University and Condensed Matter Science Division, Oak Ridge National Laboratory

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