Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session H7: First-Principles Modeling of Excited-State Phenomena III: TDDFT

Focus Session

Show Abstracts

Sponsoring Units: DCOMP DCP DMP
Chair: Andre Schleife, University of Illinois at Urbana-Champaign
Room: 266

Tuesday, March 14, 2017 2:30PM - 2:42PM		H7.00001: Excitons in solids with time-dependent density-functional theory: the long-range corrected kernel and beyond Young-Moo Byun, Carsten Ullrich Preview Abstract
Tuesday, March 14, 2017 2:42PM - 2:54PM		H7.00002: Transient Spectra in TDDFT: Corrections and Correlations John Parkhill, Triet Nguyen Preview Abstract
Tuesday, March 14, 2017 2:54PM - 3:06PM		H7.00003: Theoretical design of near - infrared organic compounds. Katarzyna Brymora, Laurent Ducasse, Olivier Dautel, Christine Lartigau-Dagron, Frédéric Castet Preview Abstract
Tuesday, March 14, 2017 3:06PM - 3:42PM		H7.00004: Application of non-adiabatic electron dynamics to non-linear response and electrical conductivity of materials Invited Speaker: Alfredo A. Correa Preview Abstract
Tuesday, March 14, 2017 3:42PM - 3:54PM		H7.00005: TDDFT excitations in polymer density-functional first-principles calculations John Mintmire Preview Abstract
Tuesday, March 14, 2017 3:54PM - 4:06PM		H7.00006: Maxwell+TDDFT multiscale method for light propagation in thin-film semiconductor Mitsuharu Uemoto, Kazuhiro Yabana Preview Abstract
Tuesday, March 14, 2017 4:06PM - 4:18PM		H7.00007: Examining Physical and Numerical Approximations in Real-Time TDDFT Non-Equilibrium Dynamics Simulations for Determining Electronic Stopping Power Dillon C. Yost, Yi Yao, Yosuke Kanai Preview Abstract
Tuesday, March 14, 2017 4:18PM - 4:30PM		H7.00008: Non-adiabatic approximations and exact conditions in TDDFT Johanna I. Fuks, Soeren E. B. Nielsen, Neepa T. Maitra Preview Abstract
Tuesday, March 14, 2017 4:30PM - 4:42PM		H7.00009: Time-dependent density-functional approach for exciton binding energies Aritz Leonardo, Aitor Bergara Preview Abstract
Tuesday, March 14, 2017 4:42PM - 4:54PM		H7.00010: Using the particle-hole map to analyze charge transfer excitations in molecular complexes Edward A Pluhar, Yonghui Li, Carsten A Ullrich Preview Abstract
Tuesday, March 14, 2017 4:54PM - 5:06PM		H7.00011: Insights of the Ultrafast Charge Transfer Process in CdSe Quantum Dot/Organic Molecule System: A Real-Time Time-Dependent Ab Initio Study. Zhi Wang, Jan-Philip Merkl, Mona Rafipoor, Holger Lange, Lin-Wang Wang, Gabriel Bester Preview Abstract
Tuesday, March 14, 2017 5:06PM - 5:18PM		H7.00012: Ab initio evidence for nonthermal characteristics in ultrafast laser melting Chao Lian, Shengbai Zhang, Sheng Meng Preview Abstract
Tuesday, March 14, 2017 5:18PM - 5:30PM		H7.00013: Simulating Excitons in MoS2 with Time-Dependent Density Functional Theory Cedric Flamant, Grigory Kolesov, Efthimios Kaxiras Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session H7: First-Principles Modeling of Excited-State Phenomena III: TDDFT

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