Tuesday, March 5, 2019
2:30PM - 3:06PM
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H31.00001: TBD
Invited Speaker:
Coen de Graf
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Tuesday, March 5, 2019
3:06PM - 3:42PM
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H31.00002: Improving the prediction of magnetic interactions from DFT methods: Non-collinear magnetization and self-interaction
Invited Speaker:
Juan Peralta
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Tuesday, March 5, 2019
3:42PM - 3:54PM
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H31.00003: Efficient Implementation of RT-TDDFT on Siesta 4.0
Fernando Vila, Marilena Tzavala, John Rehr
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Tuesday, March 5, 2019
3:54PM - 4:06PM
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H31.00004: Performance of Generalized Gradient Approximations with Nearly Correct Asymptotic Potentials on Molecular and Solid-State Properties
Alberto Vela, Angel Albavera-Mata, Karla Botello Mancilla, Javier Carmona-Espindola, Sam B Trickey, Jose L Gazquez
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Tuesday, March 5, 2019
4:06PM - 4:18PM
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H31.00005: Ionization potentials and static dipole polarizabilities of polyacenes using Fermi-Lowdin self-interaction corrected density functional approximation
Sharmin Akter, Yoh Yamamoto, Luis Basurto, Tunna Baruah, Rajendra Zope
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Tuesday, March 5, 2019
4:18PM - 4:30PM
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H31.00006: Enhancing the efficiency of density functionals with a novel iso-orbital indicator
James Furness, Jianwei Sun
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Tuesday, March 5, 2019
4:30PM - 4:42PM
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H31.00007: WITHDRAWN ABSTRACT
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Tuesday, March 5, 2019
4:42PM - 4:54PM
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H31.00008: Gapping of MnO, FeO, CoO, and NiO Mott insulators by SCAN without U
Yubo Zhang, Zhi Wang, Alex Zunger, Jianwei Sun
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Tuesday, March 5, 2019
4:54PM - 5:06PM
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H31.00009: The Jahn-Teller effect in density functional theory
Mark Palenik, Brett Igor Dunlap, Daniel Gunlycke
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Tuesday, March 5, 2019
5:06PM - 5:18PM
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H31.00010: Self-interaction corrected dipole polarizabilites of free atoms and their ions
Kushantha Pradeep Kumara Withanage, Sharmin Akter, Chandra Shahi, Tunna Baruah, Rajendra R Zope, John P Perdew, Juan Peralta, Koblar Jackson
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Tuesday, March 5, 2019
5:18PM - 5:30PM
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H31.00011: Performance of the Fermi-Lowdin Self-Interaction Correction Method in Combination with meta-GGA Functionals
Yoh Yamamoto, Carlos Manuel Diaz, Rajendra Zope, Tunna Baruah
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