Tuesday, March 15, 2016
8:00AM - 8:36AM
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E31.00001: Orbitals and orbital energies in DFT and TDDFT
Invited Speaker:
Evert Jan Baerends
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Tuesday, March 15, 2016
8:36AM - 8:48AM
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E31.00002: Revealing Open Quantum Systems with Subsystem DFT
Alisa Krishtal, Michele Pavanello
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Tuesday, March 15, 2016
8:48AM - 9:00AM
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E31.00003: An Open Source Embedding Code for the Condensed Phase
Alessandro Genova, Davide Ceresoli, Alisa Krishtal, Oliviero Andreussi, Robert DiStasio, Michele Pavanello
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Tuesday, March 15, 2016
9:00AM - 9:12AM
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E31.00004: Scaling properties of the kinetic energy density of atoms -- towards an orbital-free meta-GGA.
Antonio Cancio, Jeremy Redd
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Tuesday, March 15, 2016
9:12AM - 9:24AM
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E31.00005: On the transferability of a parametrized kinetic functional for orbital-free density functional theory calculations
Alexander Karpenko, Leonardo Espinosa Leal, Miguel Caro, Jouko Lehtomaki, Olga Lopez-Acevedo
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Tuesday, March 15, 2016
9:24AM - 10:00AM
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E31.00006: Exact Expressions for Exchange-Correlation Potentials
Invited Speaker:
Viktor Staroverov
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Tuesday, March 15, 2016
10:00AM - 10:12AM
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E31.00007: Stringent test for non-additive, non-interacting, kinetic energy functionals
Kaili Jiang, Jonathan Nafziger, Adam Wasserman
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Tuesday, March 15, 2016
10:12AM - 10:24AM
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E31.00008: Partition Theory for Periodic and Semi-Infinite Systems
Kelsie Niffenegger, Adam Wasserman
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Tuesday, March 15, 2016
10:24AM - 10:36AM
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E31.00009: Petascale orbital-free density functional theory enabled by small-box techniques
Mohan Chen, Xiang-Wei Jiang, Houlong Zhuang, Lin-Wang Wang, Emily Carter
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Tuesday, March 15, 2016
10:36AM - 10:48AM
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E31.00010: Degenerate Open Shell Density Perturbation Theory
Mark Palenik, Brett Dunlap
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