Hybrid Functionals Applied to Solids

Presentations

• The shortcomings and advantages of hybrid functionals in the description of solids

  COFFEE_KLATCH · Invited

  March 24, 2011, 8:00 AM – March 24, 2011, 8:36 AM

  Authors

  • Georg Kresse

    • University of Vienna

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• The effects of long-range exact exchange in hybrid-functional methods

  COFFEE_KLATCH · Invited

  March 24, 2011, 8:36 AM – March 24, 2011, 9:12 AM

  Authors

  • Thomas Henderson

    • Departments of Chemistry and of Physics and Astronomy, Rice University

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• Structure of oxygen vacancies and electron localization on CeO$_2$(111)

  COFFEE_KLATCH · Invited

  March 24, 2011, 9:12 AM – March 24, 2011, 9:48 AM

  Authors

  • Maria Veronica Ganduglia-Pirovano

    • Humboldt-Universit\"at zu Berlin, Berlin, Germany and Institute of Catalysis and Petrochemistry-CSIC, Madrid, Spain

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• Orbital-dependent functionals in FLAPW: hybrid functionals and optimized effective potentials

  COFFEE_KLATCH · Invited

  March 24, 2011, 9:48 AM – March 24, 2011, 10:24 AM

  Authors

  • Stefan Bl\"ugel

    • Institut fuer Festkoerperforschung and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany

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• Hybrid functional studies of InGaN alloys and oxides for photochemical watersplitting

  COFFEE_KLATCH · Invited

  March 24, 2011, 10:24 AM – March 24, 2011, 11:00 AM

  Authors

  • Poul Georg Moses

    • Stanford University

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