First-principles modeling of excited-state phenomena in materials VI: GW+BSE Theory Development
FOCUS · J39 · ID: 354856
Presentations
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Ground and excited states of open-shell system from a spin-flip Bethe-Salpeter approach
Invited
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Presenters
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David Strubbe
University of California, Merced, Physics, University of California, Merced
Authors
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David Strubbe
University of California, Merced, Physics, University of California, Merced
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All-electron Implementation of Bethe-Salpeter Equation Method: Development and Application
ORAL
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Presenters
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Yi Yao
Univ of NC - Chapel Hill, Department of Chemistry, University of North Carolina at Chapel Hill
Authors
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Yi Yao
Univ of NC - Chapel Hill, Department of Chemistry, University of North Carolina at Chapel Hill
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Dorothea Golze
Department of Applied Physics, Aalto University
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Chi Liu
Department of Mechanical Engineering and Materials Science, Duke University
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Patrick Rinke
Department of Applied Physics, Aalto University, Aalto University, Applied Physics, Aalto University
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Volker Blum
Department of Mechanical Engineering and Materials Science, Duke University, Duke University, Mechanical Engineering and Material Sciences; Chemistry, Duke University
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Yosuke Kanai
Univ of NC - Chapel Hill, Department of Chemistry, University of North Carolina at Chapel Hill, University of North Carolina at Chapel Hill
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Efficient Construction of 4-point Green’s Function in Real-Space Representation using Permutation Sampling Monte Carlo method
ORAL
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Presenters
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Nicole Spanedda
Syracuse University
Authors
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Nicole Spanedda
Syracuse University
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Peter McLaughlin
Syracuse University
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Arindam Chakraborty
Syracuse University
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Equation of motion coupled-cluster approach for multi-electron excitations in x-ray spectra
ORAL
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Presenters
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John Rehr
University of Washington
Authors
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John Rehr
University of Washington
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Fernando Vila
University of Washington
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Joshua Kas
University of Washington
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Karol Kowalski
PNNL, Pacific Northwest National Laboratory, Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory
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Bo Peng
Pacific Northwest National Laboratory
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Real-time EOM-CCS Green's function method for the core spectral functions
ORAL
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Presenters
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Fernando Vila
University of Washington
Authors
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Fernando Vila
University of Washington
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John Rehr
University of Washington
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Bo Peng
PNNL
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Karol Kowalski
PNNL, Pacific Northwest National Laboratory, Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory
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Neutral Excitation Energies of Crystalline Solids from Periodic Equation-of-Motion Coupled-Cluster Theory
ORAL
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Presenters
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Xiao Wang
Center for Computational Quantum Physics, Flatiron Institute
Authors
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Xiao Wang
Center for Computational Quantum Physics, Flatiron Institute
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Timothy Berkelbach
Department of Chemistry, Columbia University
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Fingerprints of dynamical correlation in electron spectroscopies
Invited
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Presenters
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Matteo Gatti
LSI, CNRS, Ecole Polytechnique, LSI, CNRS-Ecole Polytechnique, Palaiseau
Authors
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Matteo Gatti
LSI, CNRS, Ecole Polytechnique, LSI, CNRS-Ecole Polytechnique, Palaiseau
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Biexcitons and exciton dynamics in low-dimensional systems from an <i>ab initio</i> interacting Green’s function formalism
ORAL
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Presenters
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Felipe Da Jornada
Materials Science and Engineering, Stanford University
Authors
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Felipe Da Jornada
Materials Science and Engineering, Stanford University
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Andrea Cepellotti
Harvard University, École Polytechnique Fédérale de Lausanne, School of Engineering and Applied Sciences, Harvard University, Materials Science & Mechanical Engineering, Harvard University
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Steven Louie
University of California at Berkeley, and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C, University of California, Berkeley, Department of Physics, University of California, Berkeley, Lawrence Berkeley National Laboratory and University of California at Berkeley, Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, UC Berkeley, Physics, Unviersyt of Calfornia, Berkeley, Physics, University of California, Berkeley, Physics, University of California, Berkeley and Lawrence Berkeley National Lab
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Electron-hole attraction effect under time-dependent electric field within a generalized Landau-Zener model
ORAL
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Presenters
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Yasushi Shinohara
School of Engineering, The Univ of Tokyo, School of Engineering, Univ. of Tokyo
Authors
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Yasushi Shinohara
School of Engineering, The Univ of Tokyo, School of Engineering, Univ. of Tokyo
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First principle excited state calculations using a frequency–dependent geminal–screened electron-hole interaction kernel
ORAL
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Presenters
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Peter McLaughlin
Syracuse University
Authors
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Peter McLaughlin
Syracuse University
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Arindam Chakraborty
Syracuse University
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Atomic relativistic approximation for <i>ab initio</i> prediction of excited-state potential energy surfaces and X-ray spectra
ORAL
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Presenters
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Tianyuan Zhang
University of Washington
Authors
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Tianyuan Zhang
University of Washington
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Joseph M Kasper
University of Washington
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Xiaosong Li
University of Washington
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