Thursday, March 21, 2013
8:00AM - 8:12AM
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T24.00001: Comparing Exact Charge Gaps to Exact DFT and DFT Approximations for Extended 1D Continuum Systems
Edwin Miles Stoudenmire, Lucas O. Wagner, Steven R. White, Kieron Burke
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Thursday, March 21, 2013
8:12AM - 8:24AM
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T24.00002: Development of accurate electron-hole exchange-correlation functional for calculation of exciton binding energy and electron-hole recombination probability in quantum dots
Arindam Chakraborty, Christopher Blanton
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Thursday, March 21, 2013
8:24AM - 8:36AM
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T24.00003: A DFT-based method of calculating optical properties of transition metal oxide materials
John E. Coulter, Adam Gali, Manousakis Efstratios
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Thursday, March 21, 2013
8:36AM - 8:48AM
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T24.00004: Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional
Sivan Refaely-Abramson, Sahar Sharifzadeh, Niranjan Govind, Jochen Autschbach, Jeffrey B. Neaton, Roi Baer, Leeor Kronik
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Thursday, March 21, 2013
8:48AM - 9:00AM
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T24.00005: Plasmon-pole models affect band gaps in GW calculations
Paul Larson, Zhigang Wu
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Thursday, March 21, 2013
9:00AM - 9:12AM
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T24.00006: Many-body effects on the zero-point renormalization of diamond: a frozen-phonons approach
Gabriel Antonius, Samuel Ponc\'e, Michel C\^ot\'e, Xavier Gonze
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Thursday, March 21, 2013
9:12AM - 9:24AM
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T24.00007: Going beyond Kohn and Sham (KS): determining accurate ground and first excited states
Luiz Ferreira, Marcelo Marques, Lara Teles, Ronaldo Pela
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Thursday, March 21, 2013
9:24AM - 9:36AM
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T24.00008: Efficient optimal effective potential approach for pe- riodic plane-wave density functional theory
Florian Libisch, Johannes M. Dieterich, Chen Huang, Emily A. Carter
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Thursday, March 21, 2013
9:36AM - 9:48AM
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T24.00009: Reliability of the Tran-Blaha functional in predicting band gaps and widths
Gian-Marco Rignanese, Waroquiers David, Aur\'elien Lherbier, Anna Miglio, Martin Stankovski, Samuel Ponce, Micael Oliveira, Matteo Giantomassi, Xavier Gonze
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Thursday, March 21, 2013
9:48AM - 10:00AM
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T24.00010: Construction of a spin-density functional for models of strongly correlated systems: including spin improves the description of charge
Klaus Capelle, Daniel Vieira, Vivian Franca
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Thursday, March 21, 2013
10:00AM - 10:12AM
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T24.00011: Transverse spin gradient functional for non-collinear Spin Density Functional Theory
F.G. Eich, G. Vignale, E.K.U. Gross
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Thursday, March 21, 2013
10:12AM - 10:24AM
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T24.00012: Angular Momentum Dependent Orbital Free Density Functional Theory
Youqi Ke, Florian Libisch, Junchao Xia, Lin-Wang Wang, Emily A. Carter
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Thursday, March 21, 2013
10:24AM - 10:36AM
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T24.00013: Non-Empirical Orbital-Free Approximations from Semiclassical Approaches
Stefano Pittalis, A. Cangi, C.R. Proetto, E.K.U. Gross, K. Burke
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Thursday, March 21, 2013
10:36AM - 10:48AM
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T24.00014: The piecewise-linearity of approximate density functionals revisited: implications for frontier orbital energies
Eli Kraisler, Leeor Kronik
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Thursday, March 21, 2013
10:48AM - 11:00AM
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T24.00015: Curvature and frontier orbital energies in density functional theory
Leeor Kronik, Tamar Stein, Jochen Autschbach, Niranjan Govind, Roi Baer
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