Tuesday, March 16, 2010
8:00AM - 8:36AM
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H28.00001: DFT and beyond: A discussion of exact exchange plus local- and nonlocal-density approximations to the correlation functional
Invited Speaker:
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Tuesday, March 16, 2010
8:36AM - 8:48AM
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H28.00002: Accurate binding energies in transition-metal molecules using a position-dependent GGA+U(R) approach
Heather Kulik, Nicola Marzari
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Tuesday, March 16, 2010
8:48AM - 9:00AM
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H28.00003: Self-consistent Meta-GGA for Solids, with Application to the CO Adsorption Puzzle
Jianwei Sun, John Perdew, Martijn Marsman, Georg Kresse
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Tuesday, March 16, 2010
9:00AM - 9:12AM
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H28.00004: Evaluation of density functionals using valence and core excited spectra of Ni(II) tetrahlides
Matt Queen, Harlan Byker, Robert Szilagyi
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Tuesday, March 16, 2010
9:12AM - 9:24AM
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H28.00005: Linear-scaling and projector self-consistent DFT+U for electronic correlations in large systems
David D. O'Regan, Mike C. Payne, Arash A. Mostofi
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Tuesday, March 16, 2010
9:24AM - 9:36AM
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H28.00006: Time-dependent density-matrix functional theory formalism to study biexcitonic phenomena in bulk systems and nanostructures
Volodymyr Turkowski, Talat S. Rahman, Carsten A. Ullrich, Michael N. Leuenberger
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Tuesday, March 16, 2010
9:36AM - 10:12AM
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H28.00007: Meta-generalized gradient approximations: What they can and cannot do for you
Invited Speaker:
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Tuesday, March 16, 2010
10:12AM - 10:24AM
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H28.00008: Acceleration of the transcorrelated method for solids
Keitaro Sodeyama, Masayuki Ochi, Rei Sakuma, Shinji Tsuneyuki
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Tuesday, March 16, 2010
10:24AM - 10:36AM
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H28.00009: Dispersion Interactions in Molecular Assemblies from First-Principles Calculations
Yan Li, Deyu Lu, Huy Viet Nguyen, Giulia Galli
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Tuesday, March 16, 2010
10:36AM - 10:48AM
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H28.00010: Two and three-body interatomic dispersion energy contributions to binding in molecules and solids
Anatole von Lilienfeld, Alexandre Tkatchenko
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Tuesday, March 16, 2010
10:48AM - 11:00AM
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H28.00011: Excited-state properties of organic photovoltaic materials from a many-body Lanczos-GW approach and time-dependent density functional theory
Xiaofeng Qian, Paolo Umari, Davide Ceresoli, Nicola Marzari
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