Density Functional Theory and Beyond VII

FOCUS · W01 · ID: 48283

Presentations

  • ORAL · Invited

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    Publication: 1) "Mott Metal-Insulator Transition from Steady-State Density Functional Theory",
    David Jacob, Gianluca Stefanucci and Stefan Kurth
    Physical Review Letters 125, 216401 (2020).
    2) "Nonequilibrium Spectral Functions from Multiterminal Steady-State Density Functional Theory",
    Stefan Kurth, David Jacob, Nahual Sobrino and Gianluca Stefanucci
    Physical Review B 100, 085114 (2019).
    3) "Many-Body Spectral Functions from Steady State Density Functional Theory"
    David Jacob and Stefan Kurth
    Nano Letters 18, 2086 (2018)
    4) "Nonequilibrium Anderson Model Made Simple with Density Functional Theory",
    Stefan Kurth and Gianluca Stefanucci
    Physical Review B 94, 241103(R) (2016).
    5) "Steady-State Density Functional Theory for Finite Bias Conductances",
    Gianluca Stefanucci and Stefan Kurth
    Nano Letters 15, 8020 (2015).

    Presenters

    • Gianluca Stefanucci

      • University of Rome Tor Vergata
      • Univ of Roma

    Authors

    • Gianluca Stefanucci

      • University of Rome Tor Vergata
      • Univ of Roma

    • David Jacob

      • Nano-Bio Spectroscopy Group and European Theoretical Spectroscopy Facility (ETSF), Departamento Polímeros y Materiales Avanzados:Física, Química y Tecnología, Universidad del

    • Stefan Kurth

      • Nano-Bio Spectroscopy Group and European Theoretical Spectroscopy Facility (ETSF), Departamento Polímeros y Materiales Avanzados:Física, Química y Tecnología, Universidad del

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  • ORAL

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    Publication: E. Kraisler and A. Schild, Discontinuous behavior of the Pauli potential in density functional theory
    as a function of the electron number, Phys. Rev. Research 2, 013159 (2020)

    Jakub Kocák, Eli Kraisler, and Axel Schild, Charge-Transfer Steps in Density Functional Theory from the Perspective of the Exact Electron Factorization, J. Phys. Chem. Lett. 12, 3204 (2021)

    N. E. Rahat, A. Schild and E. Kraisler, Plateaus in the potentials of density-functional theory: analytical derivation, in preparation.

    Presenters

    • Eli Kraisler

      • Hebrew University of Jerusalem
      • Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem

    Authors

    • Eli Kraisler

      • Hebrew University of Jerusalem
      • Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem

    • Axel Schild

      • Laboratorium für Physikalische Chemie, ETH Zürich, Switzerland

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  • ORAL

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    Publication: MA Mosquera, Density Functional Calculations Based on the Exponential Ansatz, Journal of Physical Chemistry A, Article ASAP, 2021, DOI: 10.1021/acs.jpca.1c07113

    Presenters

    • Martin A Mosquera

      • Montana State University
      • University of Montanna

    Authors

    • Martin A Mosquera

      • Montana State University
      • University of Montanna

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  • ORAL

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    Publication: [1] K. Oqmhula , K. Hongo , R. Maezono , T. Ichibha, ACS Omega 5 19371-19376 (2020).

    Presenters

    • Kenji Oqmhula

      • School of Information Science, JAIST

    Authors

    • Kenji Oqmhula

      • School of Information Science, JAIST

    • Kenta Hongo

      • Research Center for Advanced Computing Infrastructure, JAIST
      • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan
      • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan.

    • Ryo Maezono

      • School of Information Science, JAIST
      • School of Information Science, JAIST, Nomi, Ishikawa, Japan
      • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

    • Tom Ichibha

      • Oak Ridge National Lab
      • School of Information Science, JAIST

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  • ORAL

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    Presenters

    • Yutaka Nikaido

      • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

    Authors

    • Yutaka Nikaido

      • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

    • Tom Ichibha

      • Oak Ridge National Lab
      • School of Information Science, JAIST

    • Kenta Hongo

      • Research Center for Advanced Computing Infrastructure, JAIST
      • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan
      • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan.

    • Fernando A Reboredo

      • Oak Ridge National Lab

    • Ryo Maezono

      • School of Information Science, JAIST
      • School of Information Science, JAIST, Nomi, Ishikawa, Japan
      • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

    • Kousuke Nakano

      • 1. International School for Advanced Studies 2. School of Information Science, JAIST
      • School of Information Science, JAIST
      • School of Information Science, JAIST, Nomi, Ishikawa, Japan.
      • Condensed matter theory, SISSA

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