APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022;
Chicago
Session Index
Thursday, March 17, 2022
11:30AM - 12:06PM
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T01.00001: What does it take to run orbital-free (TD)DFT and embedding simulations? And what do we get from them?
Invited Speaker:
Michele Pavanello
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Thursday, March 17, 2022
12:06PM - 12:18PM
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T01.00002: Nonlocal and Nonadiabatic Time-dependent Pauli Potential
Kaili Jiang, Xuecheng Shao, Michele Pavanello
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Thursday, March 17, 2022
12:18PM - 12:30PM
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T01.00003: Investigation of cusps and steps in the non-additive kinetic potential functional Vnad from analytic inversion
Tim Gould, Leeor Kronik, David A Strubbe, Mojdeh Banafsheh
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Thursday, March 17, 2022
12:30PM - 12:42PM
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T01.00004: Consistent deorbitalization and new deorbitalizers for meta-GGA exchange-correlation functionals
Hector I Francisco Rodriguez, Samuel B Trickey, Antonio C Cancio
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Thursday, March 17, 2022
12:42PM - 12:54PM
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T01.00005: Two-Orbital Approximation for Partition Density Functional Theory
Victor Hugo Gonzalez Chavez, Yan Oueis, Adam Wasserman
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Thursday, March 17, 2022
12:54PM - 1:06PM
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T01.00006: Deriving Corrections to the 1D TF Kinetic Energy Functional: The first step towards a systematic DFT
Pavel Okun, Kieron Burke
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Thursday, March 17, 2022
1:06PM - 1:18PM
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T01.00007: Suppressing exchange-correlation errors through a Generalized Overlap Approximation in Partition-DFT
Yuming Shi, Adam Wasserman
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Thursday, March 17, 2022
1:18PM - 1:30PM
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T01.00008: Visualizing and testing orbital free models of the kinetic energy density in semiconductors
Antonio C Cancio, Akinfolarin Akinola, Brielle Shope
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Thursday, March 17, 2022
1:30PM - 1:42PM
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T01.00009: Variational optimization of Pauli potentials for orbital-free density functional theory
Antonio C Cancio, Bishal Thapa
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