Many-Body Perturbation Theory for Electronic Excitations: Theoretical Spectroscopy
FOCUS · K24 ·
Presentations
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DFT$+U(\omega)$: Frequency-dependent Hubbard $U$ correction
ORAL
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Authors
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David D. O'Regan
- Trinity College Dublin
- School of Physics, CRANN and AMBER, Trinity College Dublin
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Nicola Marzari
- Ecole Polytechnique Federale de Lausanne, Switzerland
- Ecole Polytechnique Federale de Lausanne (EPFL)
- Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
- THEOS-MARVEL \'{E}cole Polytechnique F\'{e}d\'{e}rale de Lausanne
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RIXS of Ammonium Nitrate using OCEAN
ORAL
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Authors
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John Vinson
- NIST, Gaithersburg, MD
- National Institute of Standards and Technology
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Terrence Jach
- NIST, Gaithersburg, MD
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Matthias Mueller
- PTB, Berlin, Germany
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Rainer Unterumsberger
- PTB, Berlin, Germany
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Burkhard Beckhoff
- PTB, Berlin, Germany
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Signatures of correlation in transition metal oxides
ORAL
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Authors
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Matteo Gatti
- LSI, Ecole Polytechnique, France
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Matteo Guzzo
- Humboldt-Universit\"at zu Berlin, Germany
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Lucia Reining
- LSI, Ecole Polytechnique, France
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High-resolution Valence and Core Excitation Spectra via First-Principles Calculations and Experiment
ORAL
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Authors
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Eric Shirley
- National Institute of Standards and Technology
- NIST
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F. Fossard
- ONERA-CNRS, LEM
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K. Gilmore
- European Synchrotron Radiation Facility
- ESRF
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G. Hug
- ONERA-CNRS, LEM
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J.J. Kas
- University of Washington
- U of Washington
- U. Wash., Seattle
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J.J. Rehr
- University of Washington
- Univ of Washington
- U. Wash., Seattle
- U. of Washington
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F. Vila
- University of Washington
- U. Wash., Seattle
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Obtaining X-ray absorption near-edge structure for transition metal oxides via the Bethe-Salpeter equation
ORAL
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Authors
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YUFENG LIANG
- Lawrence Berkeley National Lab, The Molecular Foundry
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John Vinson
- NIST, Gaithersburg, MD
- National Institute of Standards and Technology
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SRI CHAITANYA DAS PEMMARAJU
- Lawrence Berkeley National Lab, The Molecular Foundry
- Lawrence Berkeley National Laboratory
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Eric Shirley
- National Institute of Standards and Technology
- NIST
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DAVID PRENDERGAST
- The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
- Lawrence Berkeley National Lab, The Molecular Foundry
- Lawrence Berkeley National Laboratory
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First-Principles Study of Frequency-Dependent Resonant Raman Scattering
ORAL
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Authors
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Yannick Gillet
- Universit\'e catholique de Louvain
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Stefan Kontur
- Humboldt-Universit\"at zu Berlin
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Matteo Giantomassi
- Universit\'e catholique de Louvain
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Claudia Draxl
- Humboldt-Universit\"at zu Berlin
- Humboldt University
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Xavier Gonze
- Universit\'e catholique de Louvain
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Cumulant approach for electronic excitations in x-ray and electron spectra
COFFEE_KLATCH · Invited
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Authors
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J.J. Rehr
- University of Washington
- Univ of Washington
- U. Wash., Seattle
- U. of Washington
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Real-time cumulant approach for inelastic losses in x-ray spectra
ORAL
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Authors
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J.J. Kas
- University of Washington
- U of Washington
- U. Wash., Seattle
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J. J. Rehr
- U of Washington
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J. B. Curtis
- U of Rochester
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Approaching the quantum limit for plasmonics: linear atomic chains
ORAL
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Authors
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Emily Townsend
- National Institute of Standards and Technology
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Garnett Bryant
- Joint Quantum Institute, National Institute of Standards and Technology and University of Maryland
- National Institute of Standards and Technology
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On the Role of Fe$_{\mathrm{2}}$O$_{\mathrm{3\thinspace }}$Surface States for Water Splitting
ORAL
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Authors
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Maytal Caspary Toroker
- Department of Materials Science and Engineering
- Department of Materials Science and Engineering, Technion - Israel Institute of Technology
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Many body calculations of the optoelectronic properties of $h$-AlN: from 3D to 2D
ORAL
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Authors
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Deniz Kecik
- National Nanotechnology Research Center, Bilkent University, Ankara 06800, Turkey
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Cihan Bacaksiz
- Department of Physics, Izmir Institute of Technology, 35430 Izmir, Turkey
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Engin Durgun
- Bilkent University
- Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
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Tugrul Senger
- Department of Physics, Izmir Institute of Technology, 35430 Izmir, Turkey
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Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co$_{\mathrm{3}}$O$_{\mathrm{4}}$
ORAL
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Authors
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Vijay Singh
- Department of Chemistry, Bar-Ilan University, Ramat-Gan, Israel
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Monica Kosa
- Department of Chemistry, Bar-Ilan University, Ramat-Gan, Israel
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Koushik Majhi
- Department of Chemistry, Bar-Ilan University, Ramat-Gan, Israel
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Dan Thomas Major
- Department of Chemistry, Bar-Ilan University, Ramat-Gan, Israel
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Objective performance of the GW approximation and the Bethe-Salpeter Equation for molecules
ORAL
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Authors
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Fabien Bruneval
- CEA, SRMP (France) \& Dept. of Physics, UC Berkeley \& Lawrence Berkeley National Lab (USA)
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Samia M. Hamed
- Dept. of Physics, UC Berkeley \& Lawrence Berkeley National Lab (USA)
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Tonatiuh Rangel-Gordillo
- Dept. of Physics, UC Berkeley \& Lawrence Berkeley National Lab (USA)
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Jeffrey Neaton
- University of California, Berkeley; Lawrence Berkeley National Laboratory
- Lawrence Berkeley Natl Lab/UC Berkeley
- Physics Department, UC Berkeley, The Molecular Foundry, LBNL \& Kavli Energy NanoSciences Institute at Berkeley, Berkeley, CA
- Molecular Foundry, Lawrence Berkeley National Lab; Department of Physics, University of California Berkeley; Kavli Energy NanoSciences Insitute
- Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI
- UC Berkeley; Molecular Foundry, LBNL; Kavli Energy Nanosciences Institute at Berkeley
- Dept. of Physics, UC Berkeley \& Lawrence Berkeley National Lab (USA)
- Molecular Foundry, LBNL, Dept. of Physics, UC-Berkeley and Kavli ESNI at Berkeley
- Molecular Foundry, Lawrence Berkeley National Laboratory
- Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley
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