Wednesday, March 20, 2013
2:30PM - 3:06PM
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R24.00001: Density-functional theory: time to move up?
Invited Speaker:
Nicola Marzari
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Wednesday, March 20, 2013
3:06PM - 3:18PM
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R24.00002: Self-Consistent Density Functional Including Long-Range van der Waals Interactions
Nicola Ferri, Robert A. DiStasio Jr., Roberto Car, Matthias Scheffler, Alexandre Tkatchenko
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Wednesday, March 20, 2013
3:18PM - 3:30PM
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R24.00003: Efficient Oscillator-Based Approach for Polarizability and van der Waals Interactions
Vivekanand Gobre, Robert A. Distasio, Jr., Roberto Car, Matthias Scheffler, Alexandre Tkatchenko
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Wednesday, March 20, 2013
3:30PM - 3:42PM
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R24.00004: Range-separated approach to the RPA correlation applied to van der Waals bond and to diffusion of defects
Fabien Bruneval
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Wednesday, March 20, 2013
3:42PM - 3:54PM
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R24.00005: Performance of Common Density Functional Methods for the N-Body Interaction Energies of Water Clusters
Kenneth Jordan, Fangfang Wang
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Wednesday, March 20, 2013
3:54PM - 4:06PM
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R24.00006: Chemi- and Physisorption Together from a Semilocal Density Functional: Graphene on Ni (111)
Jianwei Sun, Bing Xiao, Adrienn Ruzsinszky, John Perdew
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Wednesday, March 20, 2013
4:06PM - 4:18PM
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R24.00007: A generalized gradient approximation for the Coulomb energy
Alberto Vela, Jorge Luis Rosas-Trigueros, Samuel B. Trickey, Jos\'e L. Gazquez
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Wednesday, March 20, 2013
4:18PM - 4:30PM
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R24.00008: Analysis of the large reduced density gradient limit for the exchange energy
Jose Gazquez, Jorge M. del Campo, Juan Pacheco-Kato, Sam Trickey, Alberto Vela
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Wednesday, March 20, 2013
4:30PM - 4:42PM
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R24.00009: Laplacian-based generalized gradient approximations for the exchange energy
A.C. Cancio, Chris E. Wagner
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Wednesday, March 20, 2013
4:42PM - 4:54PM
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R24.00010: An Exchange Energy Functional with a Derivative Discontinuity
Rickard Armiento, Stephan Kuemmel
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Wednesday, March 20, 2013
4:54PM - 5:06PM
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R24.00011: A Kinetic Energy Functional From the Airy Gas Model
Alexander Lindmaa, Ann Mattsson, Rickard Armiento
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Wednesday, March 20, 2013
5:06PM - 5:18PM
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R24.00012: Constraint-based, Non-empirical Parameterization of Generalized Gradient Approximation Kinetic Energy Functionals
Debajit Chakraborty, Samuel Trickey, Valentin Karasiev
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Wednesday, March 20, 2013
5:18PM - 5:30PM
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R24.00013: Revised Thomas-Fermi Functional for Singular Potentials
James Dufty, Samuel Trickey
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