Focus Session: Fundamental Developments in Density Functional Theory III

Presentations

• Bounds on the correlation energy of Coulomb interacting systems: How negative does $E_c$ get, and what does this imply for approximate density functionals?

  COFFEE_KLATCH · Invited

  March 16, 2009, 2:30 PM – March 16, 2009, 3:06 PM

  Authors

  • Klaus Capelle

    • University of Sao Paulo, Brazil
    • Universidade de Sao Paulo

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• Van der Waals Interactions in Density-Functional Theory.

  COFFEE_KLATCH · Invited

  March 16, 2009, 3:06 PM – March 16, 2009, 3:42 PM

  Authors

  • Axel Becke

    • Dalhousie University

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• Van der Waals interactions in density functional theory

  COFFEE_KLATCH · Invited

  March 16, 2009, 3:42 PM – March 16, 2009, 4:18 PM

  Authors

  • David C. Langreth

    • Rutgers
    • Rutgers University

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• Accurate van-der-Waals interactions from (semi)-local density functional theory

  ORAL

  March 16, 2009, 4:18 PM – March 16, 2009, 4:30 PM

  Authors

  • Alexandre Tkatchenko

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Matthias Scheffler

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

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• Efficient van der Waals density functional interactions

  ORAL

  March 16, 2009, 4:30 PM – March 16, 2009, 4:42 PM

  Authors

  • Jose M. Soler

    • Universidad Autonoma de Madrid
    • Univ. Autonoma de Madrid

  • Guillermo Roman-Perez

    • Univ. Autonoma de Madrid

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• The discontinuous nature of the exchange-correlation functional -- critical for strongly correlated systems

  ORAL

  March 16, 2009, 4:42 PM – March 16, 2009, 4:54 PM

  Authors

  • Paula Mori-Sanchez

    • Duke University

  • Aron Cohen

    • Duke University

  • Weitao Yang

    • Duke University

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• Advances in Local Hybrid Functionals

  ORAL

  March 16, 2009, 4:54 PM – March 16, 2009, 5:06 PM

  Authors

  • Alexey Arbuznikov

    • University of Wuerzburg

  • Martin Kaupp

    • University of Wuerzburg

  • Hilke Bahmann

    • University of Wuerzburg

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• Calculation of functional derivatives with respect to the external potential

  ORAL

  March 16, 2009, 5:06 PM – March 16, 2009, 5:18 PM

  Authors

  • Nick Sablon

    • Vrije Universiteit Brussel

  • Tim Fievez

    • Vrije Universiteit Brussel

  • Frank De Proft

    • Vrije Universiteit Brussel

  • Paul W. Ayers

    • Vrije Universiteit Brussel

  • Paul Geerlings

    • Vrije Universiteit Brussel

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• Simple Illustration of Partition Theory

  ORAL

  March 16, 2009, 5:18 PM – March 16, 2009, 5:30 PM

  Authors

  • Adam Wasserman

    • Department of Chemistry - Purdue University
    • Purdue University

  • Morrel Cohen

    • Department of Physics - Rutgers University, and Department of Chemistry - Princeton University
    • Department of Chemistry, Princeton University and Department of Physics and Astronomy, Rutgers University

  • Kieron Burke

    • University of California, Irvine
    • Department of Chemistry - UC-Irvine
    • University of California, Irvine, CA 92697, USA
    • Department of Chemistry, University of California, Irvine
    • Department of chemistry and physics, University of California, Irvine

  • Roberto Car

    • Department of Chemistry - Princeton University
    • Department of Chemistry, Princeton University

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