Density Functional Theory and Beyond III

Presentations

• The Connector Theory Approach: Principles and Development of new Density Functionals

  ORAL · Invited

  March 16, 2022, 9:00 AM – March 16, 2022, 9:36 AM

  Presenters

  • Lucia Reining

    CNRS, Ecole Polytechnique - CNRS, CNRS/Institut Polytechnique de Paris

  Authors

  • Marco Vanzini

    EPFL

  • Ayoub Aouina

    Ecole Polytechnique

  • Martin Panholzer

    Uni Software Plus GmbH

  • Matteo Gatti

    CNRS, Ecole Polytechnique - CNRS, CNRS/Institut Polytechnique de Paris

  • Lucia Reining

    CNRS, Ecole Polytechnique - CNRS, CNRS/Institut Polytechnique de Paris

  View abstract →

• Non-adiabatic functionals in TDDFT from the Connector Theory

  ORAL

  March 16, 2022, 9:36 AM – March 16, 2022, 9:48 AM

  Presenters

  • Lionel Lacombe

    Rutgers University - Newark

  Authors

  • Lionel Lacombe

    Rutgers University - Newark

  • Lucia Reining

    CNRS, Ecole Polytechnique - CNRS, CNRS/Institut Polytechnique de Paris

  • Matteo Gatti

    CNRS, Ecole Polytechnique - CNRS, CNRS/Institut Polytechnique de Paris

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• Exchange-correlation energy from exact and model Green's functions

  ORAL

  March 16, 2022, 9:48 AM – March 16, 2022, 10:00 AM

  Presenters

  • Steven Crisostomo

    University of California, Irvine

  Authors

  • Steven Crisostomo

    University of California, Irvine

  • Kieron Burke

    University of California, Irvine

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• Memory effects in TDDFT quadratic response theory

  ORAL

  March 16, 2022, 10:00 AM – March 16, 2022, 10:12 AM

  Presenters

  • DAVOOD DAR

    Rutgers University

  Authors

  • DAVOOD DAR

    Rutgers University

  • Saswata Roy

    Rutgers University- Newark

  • Neepa T Maitra

    Rutgers University - Newark

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• First-principles, spatially- and temporally-nonlocal exchange-correlation kernel for jellium at all densities

  ORAL

  March 16, 2022, 10:12 AM – March 16, 2022, 10:24 AM

  Publication: A.D. Kaplan, N.K. Nepal, A. Ruzsinszky, P. Ballone, and J.P. Perdew, arXiv:2107.02249 (2021) (submitted).

  Presenters

  • Aaron D Kaplan

    Temple University

  Authors

  • Aaron D Kaplan

    Temple University

  • Niraj K Nepal

    Temple University

  • Adrienn Ruzsinszky

    Temple University

  • Pietro Ballone

    University College Dublin

  • John P Perdew

    Temple University, Departments of Physics and Chemistry, Temple U., Philadelphia, PA 19122

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• Simple Exchange-Correlation Energy Functionals for Strongly Coupled Light-Matter Systems based on the Fluctuation-Dissipation Theorem

  ORAL

  March 16, 2022, 10:24 AM – March 16, 2022, 10:36 AM

  Publication: J. Flick, arXiv: 2104.06980 (2021).

  Presenters

  • Johannes Flick

    Flatiron Institute, Center for Computational Quantum Physics, Simons Foundation

  Authors

  • Johannes Flick

    Flatiron Institute, Center for Computational Quantum Physics, Simons Foundation

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• Accelerating Time-Dependent Density Functional Theory with Physics-Informed Neural Networks

  ORAL

  March 16, 2022, 10:36 AM – March 16, 2022, 10:48 AM

  Presenters

  • Karan Shah

    Helmholtz Zentrum Dresden-Rossendorf

  Authors

  • Karan Shah

    Helmholtz Zentrum Dresden-Rossendorf

  • Attila Cangi

    Helmholtz Zentrum Dresden-Rossendorf, Helmholtz-Zentrum Dresden-Rossendorf

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• Single-particle-exact density functionals

  ORAL

  March 16, 2022, 10:48 AM – March 16, 2022, 11:00 AM

  Presenters

  • Martin-Isbjorn Trappe

    Center of Quantum Technologies, NUS

  Authors

  • Martin-Isbjorn Trappe

    Center of Quantum Technologies, NUS

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• A reformulation of time-dependent Kohn-Sham theory in terms of the second time derivative of the density

  ORAL

  March 16, 2022, 11:00 AM – March 16, 2022, 11:12 AM

  Publication: Walter Tarantino and C. A. Ullrich, J. Chem. Phys. 154, 204112 (2021)

  Presenters

  • Carsten A Ullrich

    University of Missouri

  Authors

  • Walter Tarantino

    Università degli Studi di Cagliari, Italy

  • Carsten A Ullrich

    University of Missouri

  View abstract →