Electronic Structure Methods I

Presentations

• Electron localization in exact time-dependent density-functional potentials

  ORAL

  March 2, 2015, 11:15 AM – March 2, 2015, 11:27 AM

  Authors

  • Matthew Hodgson

    • University of York, Department of Physics

  • James Ramsden

    • University of York, Department of Physics

  • Thomas Durrant

    • University College London, Department of Physics and Astronomy

  • Jacob Chapman

    • University College London, Department of Physics and Astronomy

  • Piers Lillystone

    • University of Waterloo, Department of Physics and Astronomy

  • Rex Godby

    • University of York, Department of Physics

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• Constructing Multi-Slater-Jastrow Wavefunctions via Reduced Density Matrix Covariance

  ORAL

  March 2, 2015, 11:27 AM – March 2, 2015, 11:39 AM

  Authors

  • Kiel Williams

    • Univ of Illinois - Urbana

  • Lucas Wagner

    • Univ of Illinois - Urbana

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• Unitarily Invariant Self-Interaction Corrections to the Uniform Electron Gas

  ORAL

  March 2, 2015, 11:39 AM – March 2, 2015, 11:51 AM

  Authors

  • Mark Pederson

    • Department of Energy - US
    • United States Department of Energy

  • Jianwei Sun

    • Department of Physics, Temple University

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• Using Dielectric Properties to Design Nonempirical Hybrid Functionals for Accurate Electronic Structure

  ORAL

  March 2, 2015, 11:51 AM – March 2, 2015, 12:03 PM

  Authors

  • Jonathan Skone

    • Institute for Molecular Engineering, The University of Chicago; Materials Science Division, Argonne National Laboratory

  • Marco Govoni

    • University of Chicago, Institute for Molecular Engineering
    • Institute for Molecular Engineering, The University of Chicago; Materials Science Division, Argonne National Laboratory
    • Institute for Molecular Engineering, The University of Chicago
    • The Institute for Molecular Engineering, The University of Chicago

  • Giulia Galli

    • The University of Chicago
    • Institute for Molecular Engineering, the University of Chicago
    • University of Chicago, Institute for Molecular Engineering
    • Institute for Molecular Engineering, University of Chicago
    • Univ of Chicago
    • Institute for Molecular Engineering, The University of Chicago; Materials Science Division, Argonne National Laboratory
    • University of Chicago
    • Institute for Molecular Engineering, University of Chicago, USA
    • The Institute for Molecular Engineering, The University of Chicago

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• Range optimized theory of electron liquids with application to jellium

  ORAL

  March 2, 2015, 12:03 PM – March 2, 2015, 12:15 PM

  Authors

  • James Donley

    • Valence4 Technologies

  • Craig Pryor

    • University of Iowa

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• Inaccurate prediction of metal properties by hybrid functionals

  ORAL

  March 2, 2015, 12:15 PM – March 2, 2015, 12:27 PM

  Authors

  • Weiwei Gao

    • Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260

  • Tesfaye Abtew

    • University at Buffalo, State University of New York
    • Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260

  • Peihong Zhang

    • University of Buffalo
    • Department of Physics, The State University of New York at Buffalo
    • Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260

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• Density matrix perturbation theory for magneto-optical response of periodic insulators

  ORAL

  March 2, 2015, 12:27 PM – March 2, 2015, 12:39 PM

  Authors

  • Irina Lebedeva

    • Nano-bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Pa\'is Vasco, Spain

  • Ilya Tokatly

    • Nano-Bio Spectroscopy group and, Departamento de Fisica de Materiales, Universidad del Pais Vasco UPV/EHU
    • Nano-bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Pa\'is Vasco, Spain

  • Angel Rubio

    • Nano-bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Pa\'is Vasco, Spain

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• Theoretical and experimental electronic structure of quinacridone

  ORAL

  March 2, 2015, 12:39 PM – March 2, 2015, 12:51 PM

  Authors

  • Sivan Refaely-Abramson

    • Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth, Israel

  • Daniel Lueftner

    • Institute of Physics, University of Graz, Graz, Austria

  • Michael Pachler

    • Institute of Physics, University of Graz, Graz, Austria; Institute of Solid State Physics, Graz University of Technology, Graz, Austria

  • Roland Resel

    • Institute of Solid State Physics, Graz University of Technology, Graz, Austria

  • Michael G. Ramsey

    • Institute of Physics, University of Graz, Graz, Austria

  • Leeor Kronik

    • Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth, Israel

  • Peter Puschnig

    • Institute of Physics, University of Graz, Graz, Austria

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• Helmholtz Fermi surface harmonics: an efficient approach for treating anisotropic problems involving Fermi surface integrals

  ORAL

  March 2, 2015, 12:51 PM – March 2, 2015, 1:03 PM

  Authors

  • Asier Eiguren

    • Condensed Matter Physics. University of the Basque Country \& Donostia International Physics Center (DIPC).

  • Idoia G. Gurtubay

    • Condensed Matter Physics. University of the Basque Country \& Donostia International Physics Center (DIPC).

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• Efficient mixing scheme for self-consistent all-electron charge density

  ORAL

  March 2, 2015, 1:03 PM – March 2, 2015, 1:15 PM

  Authors

  • Tatsuya Shishidou

    • Hiroshima University

  • Michael Weinert

    • University of Wisconsin, Milwaukee

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• Quest for a workhorse MGGA functional

  ORAL

  March 2, 2015, 1:15 PM – March 2, 2015, 1:27 PM

  Authors

  • Bernard Delley

    • Paul Scherrer Institut

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• First-Principles Investigation of Electronic Excitation Dynamics in Water under Proton Irradiation

  ORAL

  March 2, 2015, 1:27 PM – March 2, 2015, 1:39 PM

  Authors

  • Kyle Reeves

    • Univ of NC - Chapel Hill

  • Yosuke Kanai

    • Department of Chemistry University of North Carolina at Chapel Hill
    • Univ of NC - Chapel Hill

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• Strongly Constrained and Appropriately Normed (SCAN) Meta-Generalized Gradient Approximation for Exchange and Correlation

  ORAL

  March 2, 2015, 1:39 PM – March 2, 2015, 1:51 PM

  Authors

  • Jianwei Sun

    • Department of Physics, Temple University

  • Adrienn Ruzsinszky

    • Temple Univ
    • Department of Physics, Temple University

  • John Perdew

    • Department of Physics, Temple U.
    • Department of Physics, Temple University

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• A Generalized Slave-Particle Method

  ORAL

  March 2, 2015, 1:51 PM – March 2, 2015, 2:03 PM

  Authors

  • Alexandru Bogdan Georgescu

    • Department of Physics and Center for Research on Interface Structures and Phenomena, Yale University

  • Sohrab Ismail-Beigi

    • Yale University
    • Applied Physics, Yale University
    • Department of Physics, Department of Applied Physics and Center for Research on Interface Structures and Phenomena, Yale University

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• Selectively localized Wannier functions

  ORAL

  March 2, 2015, 2:03 PM – March 2, 2015, 2:15 PM

  Authors

  • Runzhi Wang

    • Columbia University

  • Emanuel Lazar

    • University of Pennsylvania

  • Hyowon Park

    • University of Illionis at Chicago
    • University of Illinois at Chicago

  • Andrew Millis

    • Columbia University
    • Department of Physics, Columbia University, New York, New York 10027, USA
    • Departemtn of Physics, Columbia University
    • Dept. of Physics, Columbia Univ.

  • Chris Marianetti

    • Department of Applied Physics and Applied Mathematics, Columbia University
    • Departemtn of Applied Physics and Applied Math, Columbia University
    • Columbia University
    • Columbia Univ

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