First-principles Modeling of Excited-state Phenomena in Materials I: Many-body Perturbation Theory (Techniques and Applications)

Presentations

• Accurate Core-Level Spectra from <i>GW</i>

  Invited

  March 4, 2019, 8:00 AM – March 4, 2019, 8:36 AM

  Presenters

  • Dorothea Golze

    • Aalto University

  Authors

  • Dorothea Golze

    • Aalto University

  • Patrick Rinke

    • Aalto University

  View abstract →

• Time-dependent GW: Progress in Solving Kadanoff-Baym Equations with Dynamic GW Self Energy

  ORAL

  March 4, 2019, 8:36 AM – March 4, 2019, 8:48 AM

  Presenters

  • Diana Qiu

    • Physics, University of California at Berkeley
    • Physics, University of California, Berkeley
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  Authors

  • Diana Qiu

    • Physics, University of California at Berkeley
    • Physics, University of California, Berkeley
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  • Yang-Hao Chan

    • Department of Physics, University of California at Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, Californi
    • Lawrence Berkeley National Lab and University of California, Berkeley

  • Felipe Da Jornada

    • Department of Physics, University of California, Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab and University of California, Berkeley

  • Steven G. Louie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • Physics Department, UC Berkeley and Lawrence Berkeley National Lab
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics, University of California - Berkeley
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  View abstract →

• Excitonic effects in shift currents of low dimensional materials from time-dependent GW approach

  ORAL

  March 4, 2019, 8:48 AM – March 4, 2019, 9:00 AM

  Presenters

  • Yang-hao Chan

    • Lawrence Berkeley National Lab
    • Academia Sinica

  Authors

  • Yang-hao Chan

    • Lawrence Berkeley National Lab
    • Academia Sinica

  • Diana Qiu

    • Physics, University of California at Berkeley
    • Physics, University of California, Berkeley
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  • Felipe Da Jornada

    • Department of Physics, University of California, Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab and University of California, Berkeley

  • Steven G. Louie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • Physics Department, UC Berkeley and Lawrence Berkeley National Lab
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics, University of California - Berkeley
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  View abstract →

• Correlation satellites in optical and loss spectra

  ORAL

  March 4, 2019, 9:00 AM – March 4, 2019, 9:12 AM

  Presenters

  • Pier Luigi Cudazzo

    • Physics and Materials Science Research Unit, University of Luxembourg
    • Faculté des Sciences, de la Technologie et de la Communication, Université du Luxembourg

  Authors

  • Pier Luigi Cudazzo

    • Physics and Materials Science Research Unit, University of Luxembourg
    • Faculté des Sciences, de la Technologie et de la Communication, Université du Luxembourg

  • Lucia Reining

    • LSI, Ecole Polytechnique, Paris
    • Ecole Polytechnique

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• Faster and more accurate stochastic GW

  ORAL

  March 4, 2019, 9:12 AM – March 4, 2019, 9:24 AM

  Presenters

  • Vojtech Vlcek

    • Chemistry and Biochemistry, UC Santa Barbara

  Authors

  • Vojtech Vlcek

    • Chemistry and Biochemistry, UC Santa Barbara

  • Eran Rabani

    • Department of Chemistry, University of California Berkeley and Lawrence Berkeley National Laboratory, USA
    • Chemistry, University of California and Lawrence Berkeley National Laboratory, USA
    • College of Chemistry, UC Berkeley

  • Roi Baer

    • Department of Chemistry, Fritz Haber Center for Molecular Dynamics, Hebrew University of Jerusalem, Israel
    • Chemistry, Fritz Haber Center for Molecular Dynamics, Hebrew University of Jerusalem, Israel
    • Chemistry, Hebrew University (Israel)

  • Daniel Neuhauser

    • Department of Chemistry and Biochemistry, University of California Los Angeles, USA
    • Chemistry and Biochemistry, UC Los Angeles

  View abstract →

• Calculations of Multiplet Splittings in Open Shell Systems within the <i>GW</i> approximation

  ORAL

  March 4, 2019, 9:24 AM – March 4, 2019, 9:36 AM

  Presenters

  • Meisam Rezaei

    • University of Illinois at Chicago

  Authors

  • Meisam Rezaei

    • University of Illinois at Chicago

  • Serdar Ogut

    • University of Illinois at Chicago
    • Department of Physics, University of Illinois at Chicago

  View abstract →

• Electronic structure of 3d-transition-metal oxide clusters with partially filled d shells from GW calculations

  ORAL

  March 4, 2019, 9:36 AM – March 4, 2019, 9:48 AM

  Presenters

  • Young-Moo Byun

    • Department of Physics, University of Illinois at Chicago

  Authors

  • Young-Moo Byun

    • Department of Physics, University of Illinois at Chicago

  • Serdar Ogut

    • University of Illinois at Chicago
    • Department of Physics, University of Illinois at Chicago

  View abstract →

• Spin wave spectrum of 3d ferromagnet based on QSGW calculations

  ORAL

  March 4, 2019, 9:48 AM – March 4, 2019, 10:00 AM

  Presenters

  • Okumura Haruki

    • Graduate School of Engineering, Osaka University

  Authors

  • Okumura Haruki

    • Graduate School of Engineering, Osaka University

  • Kazunori Sato

    • Osaka University
    • Graduate School of Engineering, Osaka University

  • Takao Kotani

    • Department of applied mathematics and physics, Tottori University

  View abstract →

• Tunable Low Temperature Phonon-induced Electronic Bi-stability in Vanadium Dioxide

  ORAL

  March 4, 2019, 10:00 AM – March 4, 2019, 10:12 AM

  Presenters

  • Mark Schilfgaarde

    • King's College London

  Authors

  • Mark Schilfgaarde

    • King's College London

  • Cedric Weber

    • King's College London

  • Swagata Acharya

    • King's College London

  • Mostafa Shalaby

    • Beijing Normal University, Science Park, Beijing

  View abstract →

• Alternative approaches for calculations of exchange and correlation contributions to thermodynamic properties

  ORAL

  March 4, 2019, 10:12 AM – March 4, 2019, 10:24 AM

  Presenters

  • Joshua Kas

    • Physics, University of Washington
    • University of Washington

  Authors

  • Joshua Kas

    • Physics, University of Washington
    • University of Washington

  • John Rehr

    • University of Washington
    • Physics, University of Washington

  View abstract →

• Electron Hydrodynamics of Graphene from a First-Principles GW Approach: Electronic Compressibility, Backflows and Transport Coefficients

  ORAL

  March 4, 2019, 10:24 AM – March 4, 2019, 10:36 AM

  Presenters

  • Andrea Cepellotti

    • University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory

  Authors

  • Andrea Cepellotti

    • University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Steven G. Louie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • Physics Department, UC Berkeley and Lawrence Berkeley National Lab
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics, University of California - Berkeley
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  View abstract →

• Cumulant Green’s function approach for phonon satellites in resonant inelastic X-ray scattering

  ORAL

  March 4, 2019, 10:36 AM – March 4, 2019, 10:48 AM

  Presenters

  • Keith Gilmore

    • Brookhaven National Laboratory

  Authors

  • Keith Gilmore

    • Brookhaven National Laboratory

  • Andrey Geondzhian

    • European Synchrotron Radiation Facility

  View abstract →

• Reexamining a local, real-space approach to screening

  ORAL

  March 4, 2019, 10:48 AM – March 4, 2019, 11:00 AM

  Presenters

  • John Vinson

    • National Institute of Standards and Technology

  Authors

  • John Vinson

    • National Institute of Standards and Technology

  • Eric Shirley

    • National Institute of Standards and Technology

  View abstract →