APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session G39: First-Principles Modeling of Excited-State Phenomena in Materials V: GW+BSE for Organic Materials
Focus Session
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Sponsoring Units: DCOMP DMP DCP
Chair: Yan Li, American Physical Society
Room: 703
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G39.00001: Reproducibility, precision and accuracy in GW calculations
Invited Speaker:
Michiel van Setten
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G39.00002: Solving the Bethe-Salpeter Equation on a Subspace: Approximations and Consequences for Band-Edge and Core-Level Excitons in Quasi Low-dimensional Materials
Diana Qiu, Felipe H. da Jornada, Steven Louie
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G39.00003: Pyrene-Stabilized Acenes as Intermolecular Singlet Fission Candidates: Importance of Exciton Wave-Function Convergence
Xingyu Alfred Liu, Rithwik Tom, Xiaopeng Wang, Bohdan Schatschneider, Noa Marom
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G39.00004: An energetics perspective on why there are so few triplet-triplet annihilation emitters
Xiaopeng Wang, Rithwik Tom, Xingyu Alfred Liu, Noa Marom
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G39.00005: Analysis of Excitons in Stacked Perylene Diimide Derivatives
Kasidet Jing Trerayapiwat, Aliya Mukazhanova, Sahar Sharifzadeh
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G39.00006: First-principles G0W0 calculations for ferrocene, anthracene and porphyrin
Masoud Mansouri, Peter Koval, Daniel Sanchez-Portal
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G39.00007: Exciton temperature dependence dictated by localization in organic semiconductors
Antonios Alvertis, Richard H. Friend, Akshay Rao, Alex W. Chin, Bartomeu Monserrat
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G39.00008: Probing energy transfer design principles in photosynthetic light harvesting systems with predictive electronic structure calculations
Caroline McKeon, Samia M Hamed, Chenchen Song, Jeffrey B Neaton
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G39.00009: Exciton coherence times and diffusion constants in molecular crystals from exciton-phonon coupling with an ab initio GW-BSE approach
Jonah Haber, Felipe Da Jornada, Sivan Refaely-Abramson, Gabriel Antonius, Steven Louie, Jeffrey B Neaton
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G39.00010: Effects of dynamical lattice screening on excitonic and optical properties of polar compounds
Joshua Leveillee, Xiao Zhang, Andre Schleife
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G39.00011: Structural and Electronic Properties of the NAI-DMAC Organic Emitting Diode: A Thermally Activated Delayed Fluorescence Compound
Tommaso Francese, Francois Gygi, Giulia Galli
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G39.00012: Predictive and Tractable GW Approach for Energy Level Alignment at Organic-Inorganic Interfaces with Significant Charge Transfer
Nicholas Lin Quan Cheng, Fengyuan Xuan, Su Ying Quek
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G39.00013: Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral: nonrelativistic U(1) lattice gauge theory in the Kohn-Sham basis
Andrei Kryjevski
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