Focus Session: DFT VI: New Functional Developments
FOCUS · Q35 ·
Presentations
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Some thoughs about old and new density functionals
COFFEE_KLATCH · Invited
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Authors
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Miguel Marques
- LPMCN, Universit\'e Lyon I and CNRS
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Self-interaction corrected Kohn--Sham potentials
ORAL
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Authors
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Viktor N. Staroverov
- Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada
- University of Western Ontario
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Density-on-wave-function mapping beyond the Hohenberg-Kohn theorem
ORAL
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Authors
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Klaus Capelle
- Federal University of ABC (UFABC)
- Universidade Federal do ABC, Brazil
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Finding density functionals with machine learning
ORAL
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Authors
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John Snyder
- University of California, Irvine
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Matthias Rupp
- Eidgenossische Technische Hochschule, Zurich
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Katja Hansen
- Technische Universitat, Berlin
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Klaus Mueller
- Technische Universitat, Berlin
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Kieron Burke
- Departments of physics and chemistry, University of California, Irvine
- University of California, Irvine
- Department of Chemistry, University of California, 1102 Natural Sciences 2, Irvine, California 92697-2025, USA
- Departments of Physics and Chemistry, University of California, Irvine
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New Density Functionals with Broad Applicability in Chemistry (SOGGA11, SOGGA11-X, M11, M11-L) and Approaches to Open-Shell DFT
COFFEE_KLATCH · Invited
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Authors
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Donald Truhlar
- University of Minnesota
- Department of Chemistry and Supercomputing Institute, University of Minnesota
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Self-Interaction Free and Analytic Treatment of the Coulomb Energy in Kohn-Sham Density Functional Theory
ORAL
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Authors
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Markus Daene
- Lawrence Livermore National Laboratory
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Antonios Gonis
- Lawrence Livermore National Laboratory
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Don Nicholson
- Oak Ridge National Laboratory
- Oak Ridge National Lab
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G. Malcolm Stocks
- Oak Ridge National Laboratory
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Electronic structure via potential functional approximations
ORAL
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Authors
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Attila Cangi
- Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany
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Donghyung Lee
- Department of Chemistry, Rice University, 6100 Main Street, Houston, TX 77005-1892, USA
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Peter Elliott
- Hunter College, City University of New York
- Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA
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Kieron Burke
- Departments of physics and chemistry, University of California, Irvine
- University of California, Irvine
- Department of Chemistry, University of California, 1102 Natural Sciences 2, Irvine, California 92697-2025, USA
- Departments of Physics and Chemistry, University of California, Irvine
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E.K.U. Gross
- MPI Halle, Germany
- Max-Planck-Institute, Weinberg 2, Halle (Saale), Germany
- Max-Planck-Institut f\"ur Mikrostrukturphysik
- Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany
- Max Planck Institute of Microstructure Physics
- Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany
- Max Planck Institute of Microstructure Physics, Weinberg 2, D - 06120 Halle, Germany
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Self-Consistent Random Phase Approximation
ORAL
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Authors
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Daniel Rohr
- Rice University, Houston, TX
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Maria Hellgren
- Max-Planck-Institute, Halle, Germany
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E.K.U. Gross
- Max-Planck-Institute, Halle, Germany
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On the Hohenberg-Kohn and Levy-Lieb Constrained Search Proofs of Density Functional Theory
ORAL
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Authors
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Viraht Sahni
- Brooklyn College CUNY
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Xiao-Yin Pan
- Ningbo University
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Efficient van der Waals energy calculations via a continuum mechanics approach
ORAL
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Authors
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Tim Gould
- Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111, Australia
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John F. Dobson
- Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111, Australia
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Ilya V. Tokatly
- IKERBASQUE, Basque Foundation for Science, E-48011, Bilbao, Spain
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