Density Functional Theory

Presentations

• Distorted plane waves - new basis set for the interstitial region

  ORAL

  March 24, 2005, 5:00 AM – March 24, 2005, 5:12 AM

  Authors

  • Fredrik Bultmark

    • Uppsala University

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• Time-dependent Kohn-Sham theory with memory

  ORAL

  March 24, 2005, 5:12 AM – March 24, 2005, 5:24 AM

  Authors

  • Harshani O. Wijewardane

  • Carsten A. Ullrich

    • Department of Physics, University of Missouri

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• Test of a nonempirical density functional for short-range van der Waals interaction in rare-gas dimers

  ORAL

  March 24, 2005, 5:24 AM – March 24, 2005, 5:36 AM

  Authors

  • Jianmin Tao

  • John P. Perdew

    • Department of Physics, Tulane University, New Orleans, LA 70118
    • Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118, USA

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• Analytical Solutions for States of the 3D Hooke's Atom in an External B Field

  ORAL

  March 24, 2005, 5:36 AM – March 24, 2005, 5:48 AM

  Authors

  • Samuel Trickey

    • Physics and QTP, Univ. Florida
    • Quantum Theory Project, Dept. of Physics, University of Florida

  • Wuming Zhu

    • Physics and QTP, Univ. Florida

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• Exact Current DFT Study of Hooke's Atom in Magnetic Fields

  ORAL

  March 24, 2005, 5:48 AM – March 24, 2005, 6:00 AM

  Authors

  • Wuming Zhu

    • Physics and QTP, Univ. Florida

  • Samuel Trickey

    • Physics and QTP, Univ. Florida
    • Quantum Theory Project, Dept. of Physics, University of Florida

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• Exact-exchange density-functional calculations for large gap materials: A major step forward?

  ORAL

  March 24, 2005, 6:00 AM – March 24, 2005, 6:12 AM

  Authors

  • Rudolph Magyar

    • Los Alamos National Laboratory

  • Andrzej Fleszar

    • Universitaet Wuerzburg

  • E.K.U. Gross

    • Freie Universitaet Berlin
    • Institut f\"ur Theoretische Physik, Freie Universit\"at Berlin, Arnimallee 14, 14195 Berlin, Germany

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• Relaxation and dissipation in time-dependent current-density functional theory

  ORAL

  March 24, 2005, 6:12 AM – March 24, 2005, 6:24 AM

  Authors

  • Roberto D'Agosta

  • Giovanni Vignale

    • Department of Physics and Astronomy, University of Missouri-Columbia, Columbia MO 65211
    • University of Missouri - Columbia
    • University of Missouri
    • University of Missouri-Columbia

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• Correlation Effects in Screened-Exchange Density Functional Theory

  ORAL

  March 24, 2005, 6:24 AM – March 24, 2005, 6:36 AM

  Authors

  • Byounghak Lee

    • Lawrence Berkeley National Lab

  • Lin-Wang Wang

    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Laboratory, Berkeley, CA 94720
    • Lawrence Berkeley National Laboratory, Berkeley, CA, 94720

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• Building improved functionals for self-consistent DFT by better treatment of electronic surface regions

  ORAL

  March 24, 2005, 6:36 AM – March 24, 2005, 6:48 AM

  Authors

  • Rickard Armiento

    • KTH Physics, SE-106 91 Stockholm, Sweden

  • Ann E. Mattsson

    • Sandia National Laboratories
    • Comp. Materials \& Molecular Biology MS 1110, Sandia National Labs, Albuquerque NM 87185-1110
    • Computational Materials \& Molecular Biology MS 1110, Sandia National Laboratories, Albuquerque NM 87111-1110

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• A functional designed to include surface effects into self-consistent density-functional theory calculations.

  ORAL

  March 24, 2005, 6:48 AM – March 24, 2005, 7:00 AM

  Authors

  • Ann E. Mattsson

    • Sandia National Laboratories
    • Comp. Materials \& Molecular Biology MS 1110, Sandia National Labs, Albuquerque NM 87185-1110
    • Computational Materials \& Molecular Biology MS 1110, Sandia National Laboratories, Albuquerque NM 87111-1110

  • Rickard Armiento

    • KTH Physics, SE-106 91 Stockholm, Sweden

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• Empirical Laplacian-based model of the exchange-correlation energy density and potential in Si

  ORAL

  March 24, 2005, 7:00 AM – March 24, 2005, 7:12 AM

  Authors

  • A.C. Cancio

    • Ball State University

  • M.Y. Chou

    • School of Physics, Georgia Institute of Technology
    • Georgia Tech
    • Georgia Institute of Technology

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• Magnesium Alloy Precipitate Formation Using Mixed Basis Cluster Expansions

  ORAL

  March 24, 2005, 7:12 AM – March 24, 2005, 7:24 AM

  Authors

  • Robert Leone

  • Gus Hart

    • Northern Arizona University

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• Self-Consistent Radiative Scattering in Time Dependent Density Functional Theory

  ORAL

  March 24, 2005, 7:24 AM – March 24, 2005, 7:36 AM

  Authors

  • Sokrates Pantelides

    • Vanderbilt University

  • Ryan Hatcher

  • Alan Tackett

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• Many-body perturbation theory using the density-functional concept: beyond the GW approximation

  ORAL

  March 24, 2005, 7:36 AM – March 24, 2005, 7:48 AM

  Authors

  • Fabien Bruneval

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

  • Francesco Sottile

  • Valerio Olevano

  • Rodolfo Del Sole

  • Lucia Reining

    • INFM, Universita di Roma Tor Vergata

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• A new approach to the treatment of uniform electric fields

  ORAL

  Authors

  • Roberto D'Agosta

  • Giovanni Vignale

    • Department of Physics and Astronomy, University of Missouri-Columbia, Columbia MO 65211
    • University of Missouri - Columbia
    • University of Missouri
    • University of Missouri-Columbia

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