First-Principles Modeling of Excited-State Phenomena III: TDDFT
FOCUS · H7 ·
Presentations
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Excitons in solids with time-dependent density-functional theory: the long-range corrected kernel and beyond
ORAL
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Authors
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Young-Moo Byun
- Univ of Missouri - Columbia
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Carsten Ullrich
- Univ of Missouri - Columbia
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Transient Spectra in TDDFT: Corrections and Correlations
ORAL
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Authors
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John Parkhill
- Univ of Notre Dame
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Triet Nguyen
- Univ of Notre Dame
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Theoretical design of near - infrared organic compounds.
ORAL
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Authors
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Katarzyna Brymora
- University of Bordeaux
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Laurent Ducasse
- University of Bordeaux
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Olivier Dautel
- Université Montpellier 2
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Christine Lartigau-Dagron
- Université de Pau et des Pays de l'Adour
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Frédéric Castet
- University of Bordeaux
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Application of non-adiabatic electron dynamics to non-linear response and electrical conductivity of materials
COFFEE_KLATCH · Invited
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Authors
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Alfredo A. Correa
- Lawrence Livermore National Laboratory
- Quantum Simulations Group, Lawrence Livermore National Laboratory
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TDDFT excitations in polymer density-functional first-principles calculations
ORAL
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Authors
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John Mintmire
- Oklahoma State University
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Maxwell+TDDFT multiscale method for light propagation in thin-film semiconductor
ORAL
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Authors
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Mitsuharu Uemoto
- Center of Computational Sciences, University of Tsukuba
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Kazuhiro Yabana
- Center of Computational Sciences, University of Tsukuba
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Examining Physical and Numerical Approximations in Real-Time TDDFT Non-Equilibrium Dynamics Simulations for Determining Electronic Stopping Power
ORAL
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Authors
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Dillon Yost
- University of North Carolina - Chapel Hill
- University of North Carolina at Chapel Hill
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Yi Yao
- University of North Carolina at Chapel Hill
- UNC-Chapel Hill
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Yosuke Kanai
- Univ of NC - Chapel Hill
- University of North Carolina - Chapel Hill
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Non-adiabatic approximations and exact conditions in TDDFT
ORAL
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Authors
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Johanna I. Fuks
- Hunter College of City University of New York
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Soeren E. B. Nielsen
- Max Planck Institute for the Structure and Dynamics of Matter
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Neepa Maitra
- Hunter College of City University of New York
- Department of Physics, Hunter College, City University of New York, New York, NY 1006, USA
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Time-dependent density-functional approach for exciton binding energies
ORAL
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Authors
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Aritz Leonardo
- Department of Applied Physics II, UPV-EHU, Leioa, Spain
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Aitor Bergara
- Deparment of Condensed Matter Theory, UPV-EHU, Leioa, Spain
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Using the particle-hole map to analyze charge transfer excitations in molecular complexes
ORAL
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Authors
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Edward A Pluhar
- University of Missouri - Columbia
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Yonghui Li
- Tianjin University
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Carsten A Ullrich
- University of Missouri - Columbia
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Insights of the Ultrafast Charge Transfer Process in CdSe Quantum Dot/Organic Molecule System: A Real-Time Time-Dependent Ab Initio Study.
ORAL
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Authors
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Zhi Wang
- Institute of Physical Chemistry, University of Hamburg
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Jan-Philip Merkl
- Institute of Physical Chemistry, University of Hamburg
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Mona Rafipoor
- Institute of Physical Chemistry, University of Hamburg
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Holger Lange
- Institute of Physical Chemistry, University of Hamburg
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Lin-Wang Wang
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley Natl Lab
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Gabriel Bester
- Institute of Physical Chemistry, University of Hamburg
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Ab initio evidence for nonthermal characteristics in ultrafast laser melting
ORAL
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Authors
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Chao Lian
- Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences
- Chinese Academy of Sciences (CAS)
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Shengbai Zhang
- Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute
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Sheng Meng
- Chinese Academy of Sciences (CAS)
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Simulating Excitons in MoS2 with Time-Dependent Density Functional Theory
ORAL
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Authors
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Cedric Flamant
- Harvard University
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Grigory Kolesov
- SEAS, Harvard University
- Harvard University
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Efthimios Kaxiras
- Department of Physics, Harvard University
- Harvard University
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