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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