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DFT and Beyond VIII

FOCUS · R58 · ID: 353736

Presentations

  • Exchange-correlation magnetic fields in spin-density-functional theory

    ORAL

    –

    Presenters

    • Edward A Pluhar

      Physics and Astronomy, Univ of Missouri - Columbia

    Authors

    • Edward A Pluhar

      Physics and Astronomy, Univ of Missouri - Columbia

    • Carsten A. Ullrich

      Univ of Missouri - Columbia, Physics and Astronomy, Univ of Missouri - Columbia, Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA

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  • A benchmark of predicting magnetic structures using a combination of the cluster multipole expansion and LSDA

    ORAL

    –

    Presenters

    • Marie-Therese Huebsch

      Graduate School of Frontier Sciences, University of Tokyo

    Authors

    • Marie-Therese Huebsch

      Graduate School of Frontier Sciences, University of Tokyo

    • Takuya Nomoto

      University of Tokyo, Department of Applied Physics, University of Tokyo, Department of Applied Physics, The University of Tokyo

    • Michi-To Suzuki

      Institute for Materials Research, Tohoku University

    • Ryotaro Arita

      Applied Physics, University of Tokyo, Department of Applied Physics, University of Tokyo, University of Tokyo,, RIKEN-CEMS, University of Tokyo

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  • The effect of removal of self-interaction error on the magnetic exchange couplings

    ORAL

    –

    Presenters

    • Po-Hao Chang

      University of Texas, El Paso, Physics, University of Texas at El Paso, George Mason University

    Authors

    • Po-Hao Chang

      University of Texas, El Paso, Physics, University of Texas at El Paso, George Mason University

    • Prakash Mishra

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

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  • Self-interaction-corrected electronic structure of Fe-based single-ion magnetic molecule

    ORAL

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    Presenters

    • Anri Karanovich

      Virginia Tech

    Authors

    • Anri Karanovich

      Virginia Tech

    • Yoh Yamamoto

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Kai Trepte

      Central Michigan University, Physics, Central Michigan University

    • Koblar Jackson

      Central Michigan University, Physics, Central Michigan University, Central MIchigan University, Central Michigan Univ

    • Rajendra R Zope

      University of Texas at El Paso, University of Texas, El Paso, Department of Physics, The University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Kyungwha Park

      Department of Physics, Virginia Tech, Virginia Tech, Physics, Virginia Tech

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  • Fermi-Lowdin orbital self-interaction correction on magnetic properties of Cu(II)-acetate monohydrate

    ORAL

    –

    Presenters

    • Prakash Mishra

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    Authors

    • Prakash Mishra

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    • Yoh Yamamoto

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    View abstract →