APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session P39: First-Principles Modeling of Excited-State Phenomena in Materials VIII: TDDFT and Nonadiabatic Dynamics
Focus Session
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Sponsoring Units: DCOMP DMP DCP
Chair: David Strubbe, University of California, Merced
Room: 703
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P39.00001: Heterogeneous proton-coupled electron transfer at nanoparticle and electrode interfaces
Invited Speaker:
Sharon Hammes-Schiffer
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P39.00002: Excitation Dynamics in Water under Proton Irradiation: Time-dependent Maximally-Localized Wannier Function Approach
Chris Shepard, Dillon C Yost, Yi Yao, Yosuke Kanai
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P39.00003: Time-dependent exciton wave functions from TDDFT
Jared R. Williams, Carsten A. Ullrich
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P39.00004: Transient X-ray absorption spectra in solids from generalized Kohn-Sham real-time TDDFT.
Sri Chaitanya Das Pemmaraju
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P39.00005: TD-DFT without wavefunctions
Kaili Jiang, Xuecheng Shao, Michele Pavanello
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P39.00006: Pre-equilibrium stopping power mechanisms in proton-irradiated aluminum sheets
Alina Kononov, Andre Schleife
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P39.00007: Quantitative electronic stopping power from localized basis set
Ivan Maliyov, Xixi Qi, Jean-Paul Crocombette, Fabien Bruneval
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P39.00008: New Simulation Method for Temperature Dependent Magnetic Circular Dichroism with Non-Perturbative Treatment of Magnetic Field
Shichao Sun, Xiaosong Li
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P39.00009: Polarization dependence of optical excitations in anisotropic metal/insulator heterostructures
Markus Ernst Gruner, Rossitza Pentcheva
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P39.00010: Dissociation Path Competition of Radiolysis-Ionization induced Molecule Damage under Electron Beam Illumination
Zenghua Cai, Shiyou Chen, Lin-Wang Wang
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P39.00011: Generalized nanoquanta exchange-correlation kernel and nonhydrogenic Rydberg series of excitonic binding energies in monolayer WS2
Volodymyr Turkowski, Jose Mario Galicia-Hernandez, Gregorio Hernandez-Cocoletzi, Talat S. Rahman
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