Exact-Exchange Based DFT Functionals Meet Quasiparticle Energy Calculations: Exciting Prospects for Condensed Systems

Presentations

• Ab-initio study of the excited state properties of liquid water

  COFFEE_KLATCH · Invited

  March 6, 2007, 6:00 AM – March 6, 2007, 6:36 AM

  Authors

  • Lucia Reining

    • Ecole Polytechnique, Paris, France

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• GW/Bethe-Salpeter Calculations for Solids for Core and Valence Spectra

  COFFEE_KLATCH · Invited

  March 6, 2007, 6:36 AM – March 6, 2007, 7:12 AM

  Authors

  • E.L. Shirley

    • NIST
    • Optical Division, NIST, Gaithersburg, MD 20899-8441

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• New hybrid functionals for ab-initio calculations of properties of solids

  COFFEE_KLATCH · Invited

  March 6, 2007, 7:12 AM – March 6, 2007, 7:48 AM

  Authors

  • G. Scuseria

    • Department of Chemistry, Rice University, Houston, Texas 77005
    • Rice University
    • Rice U.

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• Hybrid functional and selfconsistent GW$\Gamma$ calculations for solids

  COFFEE_KLATCH · Invited

  March 6, 2007, 7:48 AM – March 6, 2007, 8:24 AM

  Authors

  • Georg Kresse

    • University of Vienna, Austria

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• Optimized effective potential methods for molecules and solids

  COFFEE_KLATCH · Invited

  March 6, 2007, 8:24 AM – March 6, 2007, 9:00 AM

  Authors

  • Andreas Goerling

    • Lehrstuhl fuer Theoretische Chemie, University Erlangen-Nueremberg

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