Ground State Density Functional Theory: Theory Development

Presentations

• Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities

  ORAL

  March 11, 2008, 1:30 PM – March 11, 2008, 1:42 PM

  Authors

  • Michael Seidl

    • Department of Physics, University of Regensburg
    • Institute of Theoretical Physics, University of Regensburg, Regensburg, Germany
    • Institute of Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany

  • Paola Gori-Giorgi

    • Laboratoire Chimie Theorique, CNRS and University Paris VI, Paris, France
    • Laboratoire de Chimie Theorique, CNRS, Universite Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France

  • Andreas Savin

    • Laboratoire de Chimie Theorique, CNRS, Universite Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France
    • Université Pierre et Marie Curie

  View abstract →

• Spherically and system-averaged pair densities in the strong-interaction limit of density functional theory

  ORAL

  March 11, 2008, 1:42 PM – March 11, 2008, 1:54 PM

  Authors

  • Paola Gori-Giorgi

    • Laboratoire Chimie Theorique, CNRS and University Paris VI, Paris, France
    • Laboratoire de Chimie Theorique, CNRS, Universite Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France

  • Andreas Savin

    • Laboratoire Chimie Theorique, CNRS and University Paris VI, Paris, France

  • Michael Seidl

    • Department of Physics, University of Regensburg
    • Institute of Theoretical Physics, University of Regensburg, Regensburg, Germany
    • Institute of Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany

  View abstract →

• Internally Consistent Local Approximation to Density Functional theory

  ORAL

  March 11, 2008, 1:54 PM – March 11, 2008, 2:06 PM

  Authors

  • Antonios Gonis

    • Lawrence Livermore National Laboratory

  • Don M. Nicholson

    • Computer Science and Mathematics Division, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory

  • G. M. Stocks

    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, USA

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• A new approach to density functional theory

  ORAL

  March 11, 2008, 2:06 PM – March 11, 2008, 2:18 PM

  Authors

  • Kieron Burke

    • University of California, Irvine

  • Peter Elliott

    • University of California, Irvine

  • Attila Cangi

    • University of California, Irvine

  • Donghyung Lee

    • University of California, Irvine

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• The Role of Quantum Stress in Descriptive Chemistry

  ORAL

  March 11, 2008, 2:18 PM – March 11, 2008, 2:30 PM

  Authors

  • Ilya Tokatly

    • Lehrstuhl f\"ur Theoretische Festk\"orperphysik, Universit"at Erlangen-N\"urnberg, Germany

  • Giovanni Vignale

    • University of Missouri-Columbia

  • Jianmin Tao

    • Los Alamos National Laboratory

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• Semiclassical Approaches in Density Functional Theory

  ORAL

  March 11, 2008, 2:30 PM – March 11, 2008, 2:42 PM

  Authors

  • Peter Elliott

    • University of California, Irvine

  • Attila Cangi

    • University of California, Irvine

  • Donghyung Lee

    • University of California, Irvine

  • Kieron Burke

    • University of California, Irvine

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• Correlation Energy of 3D Spin-Polarized Electron Gas: A Single Interpolation Between High- and Low-Density Limits

  ORAL

  March 11, 2008, 2:42 PM – March 11, 2008, 2:54 PM

  Authors

  • Jianwei Sun

    • Department of Physics and Quantum Theory Group, Tulane University

  • John P. Perdew

    • Dept. of Physics, Tulane U., New Orleans LA 70118
    • Dept. of Physics,Tulane U.
    • Department of Physics and Quantum Theory Group, Tulane University
    • Department. of Physics and Quantum Theory Group, Tulane University, New Orleans, LA 70118

  • Michael Seidl

    • Department of Physics, University of Regensburg
    • Institute of Theoretical Physics, University of Regensburg, Regensburg, Germany
    • Institute of Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany

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• Semiclassical Origin of Density Functionals

  ORAL

  March 11, 2008, 2:54 PM – March 11, 2008, 3:06 PM

  Authors

  • Attila Cangi

    • University of California, Irvine

  • Peter Elliott

    • University of California, Irvine

  • Donghyung Lee

    • University of California, Irvine

  • Kieron Burke

    • University of California, Irvine

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• Construction of an analytic exchange-correlation hole for the Perdew-Burke-Ernzerhof GGA

  ORAL

  March 11, 2008, 3:06 PM – March 11, 2008, 3:18 PM

  Authors

  • Matthias Ernzerhof

    • Department of Chemistry, University of Montreal

  • Hilke Bahmann

    • Department of Chemistry, University of Wuerzburg

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• Orbital-free Kinetic Energy Density Functionals of GGA Type with Positive-definite, Finite Pauli Potentials

  ORAL

  March 11, 2008, 3:18 PM – March 11, 2008, 3:30 PM

  Authors

  • S.B. Trickey

    • QTP, Univ. Florida

  • V.V. Karasiev

    • Instituto Venezolano de Investigaciones Cientificas

  • R.S. Jones

    • Physics, Loyola College of Maryland

  • Frank Harris

    • Physics, Univ. Utah

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• Exact condition on the non-interacting kinetic energy for real matter

  ORAL

  March 11, 2008, 3:30 PM – March 11, 2008, 3:42 PM

  Authors

  • Donghyung Lee

    • University of California, Irvine

  • Kieron Burke

    • University of California, Irvine

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• Construction of Wave Function Functionals

  ORAL

  March 11, 2008, 3:42 PM – March 11, 2008, 3:54 PM

  Authors

  • Marlina Slamet

    • Sacred Heart University

  • Xiao-Yin Pan

    • Ningbo University

  • Viraht Sahni

    • The Graduate School, CUNY

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• LDA+DMFT Charge self-consistency applied to Yb valence transition

  ORAL

  March 11, 2008, 3:54 PM – March 11, 2008, 4:06 PM

  Authors

  • Erik R. Ylvisaker

    • UC Davis

  • W. E. Pickett

    • UC Davis
    • University of California,Davis
    • Dept. of Physics, UC Davis

  • A. K. McMahan

    • LLNL

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• Fock exchange in FLAPW method

  ORAL

  March 11, 2008, 4:06 PM – March 11, 2008, 4:18 PM

  Authors

  • Tatsuya Shishidou

    • Hiroshima University

  • Tamio Oguchi

    • Hiroshima University

  View abstract →