First-principles Modeling of Excited-state Phenomena in Materials IV: Time-dependent Density Functional Theory
FOCUS · E20 ·
Presentations
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Time-dependent density-functional approaches for excitons: the pros and cons of long-range corrected exchange-correlation kernels
Invited
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Presenters
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Carsten Ullrich
- University of Missouri
Authors
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Carsten Ullrich
- University of Missouri
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Exact exchange-correlation kernels for optical spectra
ORAL
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Presenters
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Mike Entwistle
- Physics, University of York
Authors
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Mike Entwistle
- Physics, University of York
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Rex W Godby
- Physics, University of York
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Accelerating excited-state calculations in NanoGW using an interpolative separable density fitting method
ORAL
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Presenters
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Weiwei Gao
- University of Texas at Austin
Authors
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Weiwei Gao
- University of Texas at Austin
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James Chelikowsky
- Department of Physics, University of Texas at Austin
- University of Texas at Austin
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Floquet theory for the electronic stopping of projectiles in solids
ORAL
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Presenters
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Nicolo' Forcellini
- Physics, University of Cambridge
Authors
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Nicolo' Forcellini
- Physics, University of Cambridge
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Emilio Artacho
- CIC nanoGUNE
- Cavendish Laboratory, University of Cambridge
- Physics, University of Cambridge
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Electronic stopping of protons in anisotropic weakly bound materials
ORAL
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Presenters
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Emilio Artacho
- CIC nanoGUNE
- Cavendish Laboratory, University of Cambridge
- Physics, University of Cambridge
Authors
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Jessica F. K. Halliday
- Cavendish Laboratory, University of Cambridge
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Pere Alemany
- IQTC-UB, Universidad de Barcelona
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Emilio Artacho
- CIC nanoGUNE
- Cavendish Laboratory, University of Cambridge
- Physics, University of Cambridge
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Electronic excitations in proton-irradiated ice via Real-Time TDDFT
ORAL
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Presenters
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Daniel Muñoz-Santiburcio
- CIC nanoGUNE
Authors
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Daniel Muñoz-Santiburcio
- CIC nanoGUNE
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Emilio Artacho
- CIC nanoGUNE
- Cavendish Laboratory, University of Cambridge
- Physics, University of Cambridge
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Electronic stopping power from time-dependent density-functional theory in Gaussian basis
ORAL
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Presenters
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Ivan Maliyov
- Saclay Nuclear Research Centre
Authors
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Ivan Maliyov
- Saclay Nuclear Research Centre
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Fabien Bruneval
- Saclay Nuclear Research Centre
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Jean-Paul Crocombette
- Saclay Nuclear Research Centre
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Charge equilibration and electronic stopping for self-irradiated silicon
ORAL
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Presenters
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Cheng-Wei Lee
- University of Illinois at Urbana-Champaign
Authors
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Cheng-Wei Lee
- University of Illinois at Urbana-Champaign
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Andre Schleife
- University of Illinois at Urbana-Champaign
- Materials Science and Engineering, University of Illinois at Urbana-Champaign
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign
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Vicinage effects in the stopping power of molecular hydrogen in aluminum
ORAL
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Presenters
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Edwin Quashie
- Quantum Simulation Group, Lawrence Livermore National Laboratory
Authors
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Edwin Quashie
- Quantum Simulation Group, Lawrence Livermore National Laboratory
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Xavier Andrade
- Lawrence Livermore Natl Lab
- Quantum Simulation Group, Lawrence Livermore National Laboratory
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Alfredo A. Correa
- Lawrence Livermore Natl Lab
- Quantum Simulations Group, Lawrence Livermore National Laboratory
- Quantum Simulation Group, Lawrence Livermore National Laboratory
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Negative Differential Conductivity in Semiconductors from First Principles
ORAL
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Presenters
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Rafi Ullah
- Lawrence Livermore Natl Lab
Authors
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Rafi Ullah
- Lawrence Livermore Natl Lab
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Xavier Andrade
- Lawrence Livermore Natl Lab
- Quantum Simulation Group, Lawrence Livermore National Laboratory
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Alfredo A. Correa
- Lawrence Livermore Natl Lab
- Quantum Simulations Group, Lawrence Livermore National Laboratory
- Quantum Simulation Group, Lawrence Livermore National Laboratory
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Exchange and correlation effects in finite-temperature TDDFT
ORAL
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Presenters
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John Rehr
- University of Washington
- Physics, University of Washington
Authors
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John Rehr
- University of Washington
- Physics, University of Washington
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Joshua Kas
- Physics, University of Washington
- University of Washington
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Real time-TDDFT study of thermal and non-thermal lattice dynamics depending on laser pulse-width
ORAL
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Presenters
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Yoshiyuki Miyamoto
- National Institute of Advanced Industrial Science and Technology
Authors
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Yoshiyuki Miyamoto
- National Institute of Advanced Industrial Science and Technology
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Non-linear effects in core photoemission from Real-time TDDFT.
ORAL
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Presenters
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Marilena Tzavala
- Physics, University of Washington
Authors
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Marilena Tzavala
- Physics, University of Washington
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Joshua Kas
- Physics, University of Washington
- University of Washington
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John Rehr
- University of Washington
- Physics, University of Washington
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Lucia Reining
- LSI, Ecole Polytechnique, Paris
- Ecole Polytechnique
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