Thursday, March 8, 2018
8:00AM - 8:36AM
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R02.00001: Finite temperature, classical DFT, and functionals from embedding
Invited Speaker:
Garnet Chan
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Thursday, March 8, 2018
8:36AM - 8:48AM
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R02.00002: Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional
Georgia Prokopiou, Iulia Brumboiu, Leeor Kronik, Barbara Brena
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Thursday, March 8, 2018
8:48AM - 9:00AM
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R02.00003: Asymptotic Analysis of Atomic Pauli Potentials
Jeremy Redd, Antonio Cancio
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Thursday, March 8, 2018
9:00AM - 9:12AM
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R02.00004: Nonlocal Kinetic Energy Functionals By Functional Integration
Michele Pavanello
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Thursday, March 8, 2018
9:12AM - 9:24AM
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R02.00005: Nuclear quantum effect on hydrogen bond network fluctuation in liquid water inferred by X-ray absorption spectra
Zhaoru Sun, Lixin Zheng, Mohan Chen, Francesco Paesani, Xifan Wu
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Thursday, March 8, 2018
9:24AM - 9:36AM
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R02.00006: Constructing fragment-density functionals
Kaili Jiang, Jonathan Nafziger, Adam Wasserman
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Thursday, March 8, 2018
9:36AM - 10:12AM
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R02.00007: DFT beyond the ground-state: memory-dependent functionals and coupling to ions
Invited Speaker:
Neepa Maitra
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Thursday, March 8, 2018
10:12AM - 10:24AM
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R02.00008: Exact and Approximate Ensemble Density Functionals for a Simple model
Francisca Sagredo, Kieron Burke
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Thursday, March 8, 2018
10:24AM - 10:36AM
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R02.00009: ABSTRACT WITHDRAWN
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Thursday, March 8, 2018
10:36AM - 10:48AM
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R02.00010: A unified treatment of derivative discontinuity, delocalization and static correlation effects in DFT: the LDA plus Density Matrix Minimization (LDA+DMM) method
Fei Zhou, Vidvuds Ozolins
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Thursday, March 8, 2018
10:48AM - 11:00AM
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R02.00011: CAP-DD: Improved Correct Asymptotic Potential GGA with Derivative Discontinuity Treatment
Sam Trickey, Javier Carmona-Espindola, Jose Gazquez, Alberto Vela
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