Monday, March 5, 2018
8:00AM - 8:36AM
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A02.00001: Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations
Invited Speaker:
Weitao Yang
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Monday, March 5, 2018
8:36AM - 8:48AM
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A02.00002: Directly Patching Exchange-Correlation Energy in Density Functional Theory
Chen Huang
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Monday, March 5, 2018
8:48AM - 9:00AM
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A02.00003: How Derivative Discontinuities in the Energy Yield Interatomic Steps in the Exact Kohn-Sham Potential of Density-Functional Theory
Eli Kraisler, Matt Hodgson, Axel Schild, Eberhard K Gross
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Monday, March 5, 2018
9:00AM - 9:12AM
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A02.00004: Temperature and the strong-interaction limit of density functional theory
Aurora Pribram-Jones
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Monday, March 5, 2018
9:12AM - 9:24AM
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A02.00005: Comparison of electronic properties of atoms with d orbitals using coupled-cluster singles and doubles (CCSD) and self-energy functional theory
Taichi Kosugi, Hirofumi Nishi, Yoritaka Furukawa, Yu-ichiro Matsushita
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Monday, March 5, 2018
9:24AM - 9:36AM
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A02.00006: Comprehensive study of coupled-cluster singles and doubles Green function (GFCCSD) on periodic systems
Yoritaka Furukawa, Taichi Kosugi, Hirofumi Nishi, Yu-ichiro Matsushita
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Monday, March 5, 2018
9:36AM - 10:12AM
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A02.00007: Classical DFT of Ions in the Electrical Double Layer and Nanofluidics
Invited Speaker:
Dirk Gillespie
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Monday, March 5, 2018
10:12AM - 10:24AM
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A02.00008: Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory
Zenghui Yang, Aurora Pribram-Jones, Kieron Burke, Carsten Ullrich
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Monday, March 5, 2018
10:24AM - 10:36AM
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A02.00009: Orbital-free density functional theory with atom-centered density matrices
William Witt, Johannes Dieterich, Florian Libisch, Emily Carter
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Monday, March 5, 2018
10:36AM - 10:48AM
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A02.00010: On the development of non-adiabatic functionals in real-time TDDFT
Lionel Lacombe, Johanna Ildemar Fuks, Neepa Maitra
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Monday, March 5, 2018
10:48AM - 11:00AM
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A02.00011: The GW Self-Screening Error and its Correction Using a Local Density-Functional
Jack Wetherell, Matthew Hodgson, Rex Godby
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