APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session F58: DFT and Beyond IV
Focus Session
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Sponsoring Units: DCP DCOMP DPOLY DCMP
Chair: Marivi Fernandez Serra, State Univ of NY - Stony Brook
Room: Mile High Ballroom 3B
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F58.00001: Long-Range Correlations in Density Functional Theory
Invited Speaker:
Tim Gould
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F58.00002: Embedding tools to improve density functionals.
Adam Wasserman
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F58.00003: Kohn-Sham accuracy at a fraction of the cost: Nonlocal subsystem DFT and orbital-free DFT
Michele Pavanello
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F58.00004: Absolutely Localized Multi-reference DFT Embedding
Daniel Graham, Xuelan Wen, Dhabih Chulhai, Jason Goodpaster
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F58.00005: Towards an orbital-free kinetic energy density functional for molecular systems
Omololu Akin-Ojo
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F58.00006: Analytic inversion procedure for the exact non-additive kinetic potential functional Vnad
Mojdeh Banafsheh, Leeor Kronik, Tim Gould, David Strubbe, Tomasz A. Wesolowski
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F58.00007: Bond energies of molecules using optimal transport theory for the strictly-correlated-electron (SCE) limit of Density-Functional-Theory
Kshiteej Deshmukh, Kaushik Dayal
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F58.00008: How accurate can a metaGGA+vdW functional be simultaneously for chemisorption and physisorption of molecular adsorption on transition metal surfaces?
Manish Kothakonda, Ruiqi Zhang, Jinliang Ning, James Furness, Jianwei Sun
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F58.00009: Asymptotic behavior of the exchange-correlation energy density and the Kohn-Sham potential in density functional theory: exact results and strategy for approximations
Eli Kraisler
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F58.00010: Methods of corrections to to GEA approximations of the Pauli potential
Jeremy Redd, Antonio Cancio
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F58.00011: Practical Density Functional Theory Beyond the Zero-Sum Limit: M11plus
Pragya Verma, Benjamin Janesko, Ying Wang, Xiao He, Giovanni Scalmani, Michael J. Frisch, Donald G Truhlar
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F58.00012: Numerical analysis of thermodynamic limit extrapolation power-laws in the uniform electron gas using connectivity-twist-averaged coupled cluster doubles theory
Tina Mihm, Bingdi Yang, Laura Weiler, Alexandra McIsaac, Andreas Grueneis, Sai Ramadugu, James Shepherd
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