Electronic Structure of Quantum Systems II

FOCUS · L31

Presentations

  • Problems in the treatment of transition metal magnetism with the SCAN meta-GGA functional

    ORAL

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    Presenters

    • David Singh

      University of Missouri, Physics, University of Missouri, University of Missouri-Columbia, University of missouri, Department of Physics and Astronomy, University of Missouri

    Authors

    • David Singh

      University of Missouri, Physics, University of Missouri, University of Missouri-Columbia, University of missouri, Department of Physics and Astronomy, University of Missouri

    • Yuhao Fu

      University of Missouri, Physics, University of Missouri

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  • The calculation of accurate core electron binding energy shifts and absolute core electron binding energies using the SCAN exchange-correlation functional

    ORAL

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    Presenters

    • Juhan Matthias Kahk

      Department of Materials, Imperial College London

    Authors

    • Juhan Matthias Kahk

      Department of Materials, Imperial College London

    • Johannes Lischner

      Imperial College London, Department of Materials and Department of Physics, Imperial College London

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  • A new generation of effective core potentials from correlated calculations: 3rd row main group

    ORAL

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    Presenters

    • Guangming Wang

      North Carolina State University

    Authors

    • Guangming Wang

      North Carolina State University

    • Abdulgani Annaberdiyev

      North Carolina State University

    • Cody Melton

      North Carolina State University, Department of Physics, North Carolina State University

    • Michael Bennett

      North Carolina State University, Department of Physics, North Carolina State University

    • Lubos Mitas

      North Carolina State University, Department of Physics, North Carolina State University

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  • Local embedding/downfolding auxiliary-field quantum Monte Carlo (AFQMC)

    ORAL

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    Presenters

    • Brandon Eskridge

      Department of Physics, William & Mary

    Authors

    • Brandon Eskridge

      Department of Physics, William & Mary

    • Henry Krakauer

      Department of Physics, William & Mary

    • Shiwei Zhang

      CCQ, Flatiron Institute, Simons Foundation, Department of Physics, William & Mary, Department of Physics, College of William and Mary, Physics, College of William and Mary

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  • Benchmark studies for adsorption bond energies to transition metal surfaces

    ORAL

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    Presenters

    • Manish Kothakonda

      Tulane University

    Authors

    • Manish Kothakonda

      Tulane University

    • Jinliang Ning

      Tulane University, Department of Physics and Engineering Physics, Tulane University

    • Yubo Zhang

      Tulane University, Department of Physics and Engineering Physics, Tulane University

    • James Furness

      Tulane, Tulane University, Department of Physics and Engineering Physics, Tulane University

    • Jianwei Sun

      Tulane University, Department of Physics and Engineering Physics, Tulane University

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  • A first- principles study of insulating La<sub>2</sub>CuO<sub>4</sub>and its transition to the metallic state with Sr-doping

    ORAL

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    Presenters

    • Kanun Pokharel

      Tulane University

    Authors

    • Kanun Pokharel

      Tulane University

    • James Furness

      Tulane, Tulane University, Department of Physics and Engineering Physics, Tulane University

    • Christopher Lane

      Northeastern, Northeastern University

    • Ruiqi Zhang

      Tulane University

    • Bernardo Barbiellini

      Physics, Lappeenranta University of Technology, Lappeenranta University of Technology, Department of Physics, School of Engineering Science, Lappeenranta University of Technology, Physics, School of Engineering Science, Lappeenranta University of Technology, Lappeenranta, Finland

    • Yubo Zhang

      Tulane, Tulane University

    • Arun Bansil

      Department of Physics, Northeastern University, Northeastern, Physics, Northeastern University, Boston, Massachusetts 02115, USA, Northeastern University, Northeastern University, Boston (MA), USA, Physics, Northeastern U., Department of Physics, Northwestern University, Physics, Northeastern University, Boston, MA, USA

    • Jianwei Sun

      Tulane, Tulane University

    • Robert Markiewicz

      Northeastern University

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  • The Wilson basis applied to electronic structure

    ORAL

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    Presenters

    • James Brown

      Department of Physics and Astronomy, Dartmouth College, Dartmouth College

    Authors

    • James Brown

      Department of Physics and Astronomy, Dartmouth College, Dartmouth College

    • James Whitfield

      Department of Physics and Astronomy, Dartmouth College, Dartmouth College

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