Thursday, March 7, 2019
11:15AM - 11:27AM
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S18.00001: van der Waals density functional with corrected long-range behavior
Timo Thonhauser, Kristian Berland, Debajit Chakraborty
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Thursday, March 7, 2019
11:27AM - 11:39AM
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S18.00002: A fitted van der Waals density functional with accurate short and long-range interactions
Debajit Chakraborty, Kristian Berland, Timo Thonhauser
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Thursday, March 7, 2019
11:39AM - 11:51AM
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S18.00003: A Generalized Gradient Approximation with Local Parameters.
Angel Albavera Mata, Karla Botello Mancilla, Daniel Mejia-Rodriguez, Sam B Trickey, Jose L Gazquez, Alberto Vela
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Thursday, March 7, 2019
11:51AM - 12:03PM
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S18.00004: Neural-Network Implementation of Transferable Kohn-Sham Exchange-Correlation Functionals
Ryo Nagai, Ryosuke Akashi, Shu Sasaki, Shinji Tsuneyuki, Osamu Sugino
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Thursday, March 7, 2019
12:03PM - 12:15PM
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S18.00005: On the Physical Origin of the 1/4 Exact Exchange in Density Functional Theory
Marco Bernardi
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Thursday, March 7, 2019
12:15PM - 12:27PM
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S18.00006: The Quasi-2D Electron Gas and Density Functional Theory: Finding a Finite Limit
Aaron Kaplan, Kamal Wagle, John P Perdew
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Thursday, March 7, 2019
12:27PM - 12:39PM
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S18.00007: Response in the local, non-negative kinetic energy density of a perturbed free electron gas: potential functionals and density functionals
William C Witt, Emily Ann Carter
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Thursday, March 7, 2019
12:39PM - 12:51PM
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S18.00008: Large Z scaling of Atomic Pauli potentials
Jeremy Redd, Antonio C Cancio
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Thursday, March 7, 2019
12:51PM - 1:03PM
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S18.00009: Koopmans compliance: a functional theory for spectral properties
Andrea Ferretti, Nicola Colonna, Ngoc Linh Nguyen, Nicola Marzari
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Thursday, March 7, 2019
1:03PM - 1:15PM
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S18.00010: The Self-Consistent Field in Kohn-Sham Density Functional Theory: A Review of Methods and Algorithms
Nick Woods, Michael C Payne, Phil Hasnip
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Thursday, March 7, 2019
1:15PM - 1:27PM
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S18.00011: Obtaining Stationary States in Density Functional Theory Using Imaginary Time Propagation
Cedric Flamant, Grigory Kolesov, Efstratios Manousakis, Efthimios Kaxiras
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Thursday, March 7, 2019
1:27PM - 1:39PM
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S18.00012: Path-integral imaginary-time TDDFT simulation of the hydrogen-bonded systems
Grigory Kolesov, Efstratios Manousakis, Efthimios Kaxiras
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Thursday, March 7, 2019
1:39PM - 1:51PM
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S18.00013: Benchmarking the structure selection performance of the SCAN functional relative to PBE and PBE+D3
Julia Yang, Daniil Kitchaev, Gerbrand Ceder
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Thursday, March 7, 2019
1:51PM - 2:03PM
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S18.00014: From one to three, exploring the rungs of Jacob’s ladder in magnetic alloys
Matthieu Verstraete, Aldo H Romero
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