Electronic Structure

Presentations

• Three-dimensional statistical reduction of the non-relativstic Schr\"{o}dinger equation for electrons with pair-wise Coulomb interactions

  ORAL

  March 18, 2009, 2:30 PM – March 18, 2009, 2:42 PM

  Authors

  • Boyan Obreshkov

    • Arkansas University, Fayetteville, AR 72701, USA

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• High Pressure Phases of Cu2O

  ORAL

  March 18, 2009, 2:42 PM – March 18, 2009, 2:54 PM

  Authors

  • David Groh

    • Gannon U

  • Ravindra Pandey

    • Department of Physics and Multi-Scale Technology Institute, Michigan Technological University, Houghton, MI 49931
    • Michigan Technological U
    • Michigan Tech University

  • Miguel Blanco

    • Universidad de Oviedo

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• $\bf{k}\cdot\bf{p}$ formalism within FLAPW method

  ORAL

  March 18, 2009, 2:54 PM – March 18, 2009, 3:06 PM

  Authors

  • Tatsuya Shishidou

    • Hiroshima University

  • Tamio Oguchi

    • Hiroshima University

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• Electric polarization in a Chern insulator

  ORAL

  March 18, 2009, 3:06 PM – March 18, 2009, 3:18 PM

  Authors

  • Sinisa Coh

    • Rutgers University

  • D. Vanderbilt

    • Department of Physics and Astronomy, Rutgers University
    • Rutgers University

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• A new Laplacian representation for real-space calculations of general periodic and partially periodic systems

  ORAL

  March 18, 2009, 3:18 PM – March 18, 2009, 3:30 PM

  Authors

  • Amir Natan

    • Weizmann Inst of Sci

  • Ayelet Benjamini

    • Weizmann Inst of Sci

  • Doron Naveh

    • Weizmann Inst of Sci

  • Leeor Kronik

    • Weizmann Inst of Sci

  • Murilo Tiago

    • University of Texas

  • Scott Beckman

    • University of Texas

  • James Chelikowsky

    • University of Texas

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• Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential

  ORAL

  March 18, 2009, 3:30 PM – March 18, 2009, 3:42 PM

  Authors

  • Alex Borgoo

    • Vrije Universiteit Brussel

  • David Tozer

    • Durham University

  • Paul Geerlings

    • Vrije Universiteit Brussel

  • Frank De Proft

    • Vrije Universiteit Brussel

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• Maximally-localized Wannier functions for GW quasiparticles

  ORAL

  March 18, 2009, 3:42 PM – March 18, 2009, 3:54 PM

  Authors

  • D. R. Hamann

    • Department of Physics and Astronomy, Rutgers University

  • D. Vanderbilt

    • Department of Physics and Astronomy, Rutgers University
    • Rutgers University

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• High-performance computational condensed-matter physics in the cloud

  ORAL

  March 18, 2009, 3:54 PM – March 18, 2009, 4:06 PM

  Authors

  • J.J. Rehr

    • University of Washington
    • U. of Washington

  • L. Svec

    • U. of Washington

  • J. P. Gardner

    • U. of Washington

  • M. P. Prange

    • U. of Washington

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• A scalable algorithm for the computation of Hartree-Fock exchange

  ORAL

  March 18, 2009, 4:06 PM – March 18, 2009, 4:18 PM

  Authors

  • Ivan Duchemin

    • University of California Davis, Davis CA 95616

  • Francois Gygi

    • University of California Davis, Davis CA 95616
    • Dept. of Applied Science, UC Davis
    • University of California, Davis

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• Compact representations of Kohn-Sham invariant subspaces

  ORAL

  March 18, 2009, 4:18 PM – March 18, 2009, 4:30 PM

  Authors

  • Francois Gygi

    • University of California Davis, Davis CA 95616
    • Dept. of Applied Science, UC Davis
    • University of California, Davis

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• Improvements to the NRL Tight-Binding Model

  ORAL

  March 18, 2009, 4:30 PM – March 18, 2009, 4:42 PM

  Authors

  • Michael Mehl

    • Naval Research Laborator
    • Naval Research Laboratory

  • Dimitrios Papaconstantopoulos

    • Department of Computational and Data Sciences, George Mason University, Fairfax, VA 22030, USA
    • George Mason University

  • Noam Bernstein

    • Naval Research Laboratory

  • Daniel Finkenstadt

    • U.S. Naval Academy, Physics Department
    • United States Naval Academy

  • Stefano Curtarolo

    • Duke University
    • Duke University, Department of Mechanical Engineering and Materials Science and Department of Physics
    • Department of Mechanical Engineering and Materials Science and Department of Physics, Duke University - Durham NC 27708

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• Calculation of Correlation Functions using the Momentum Average Approximation

  ORAL

  March 18, 2009, 4:42 PM – March 18, 2009, 4:54 PM

  Authors

  • Glen Goodvin

    • University of British Columbia

  • Mona Berciu

    • University of British Columbia, Vancouver, Canada
    • University of British Columbia
    • UBC

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• Entanglement Spectrum of Topological Insulators

  ORAL

  March 18, 2009, 4:54 PM – March 18, 2009, 5:06 PM

  Authors

  • F. D. M. Haldane

    • Princeton University

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• Trends in electron correlation effects on $^{17}$O NMR chemical shifts in the alkaline earth oxides.

  ORAL

  March 18, 2009, 5:06 PM – March 18, 2009, 5:18 PM

  Authors

  • Eric J. Walter

    • College of William \& Mary
    • College of William and Mary
    • The College of William snd Mary

  • Daniel L. Pechkis

    • College of William \& Mary
    • College of William and Mary

  • Henry Krakauer

    • College of William \& Mary
    • College of William and Mary

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• Efficient all-electron $GW$ calculations of complex semiconductors

  ORAL

  March 18, 2009, 5:18 PM – March 18, 2009, 5:30 PM

  Authors

  • Christoph Friedrich

    • Forschungszentrum Juelich, Germany

  • Arno Schindlmayr

    • Universitaet Paderborn, Germany

  • Stefan Bl\"ugel

    • Forschungszentrum Juelich, Germany

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