Tuesday, February 28, 2012
2:30PM - 3:06PM
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L35.00001: Progress in fractional perspectives of density functional theory
Invited Speaker:
Weitao Yang
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Tuesday, February 28, 2012
3:06PM - 3:18PM
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L35.00002: Generalized-gradient approximations with non-vanishing exchange-correlation magnetic torque
Giovanni Scalmani, Stefano Pittalis, Michael J. Frisch, Giovanni Vignale
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Tuesday, February 28, 2012
3:18PM - 3:30PM
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L35.00003: New gradient functional for SDFT derived from spin spirals in the uniform electron gas
F.G. Eich, E.K.U. Gross
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Tuesday, February 28, 2012
3:30PM - 3:42PM
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L35.00004: Tuning the correlation energy in second-order M{\o}ller-Plesset perturbation theory with an effective electron-electron interaction potential
Tim Kowalczyk, Troy Van Voorhis
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Tuesday, February 28, 2012
3:42PM - 4:18PM
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L35.00005: Toward Improved Semilocal and Nonlocal Density Functionals for Atoms, Molecules, and Solids
Invited Speaker:
John P. Perdew
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Tuesday, February 28, 2012
4:18PM - 4:30PM
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L35.00006: Energy expressions for model exchange potentials: Beyond the Levy--Perdew virial relation
Alex P. Gaiduk, Viktor N. Staroverov
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Tuesday, February 28, 2012
4:30PM - 4:42PM
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L35.00007: Laplacian-based models for the exchange energy
Antonio C. Cancio, Christopher E. Wagner, Shaun Wood
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Tuesday, February 28, 2012
4:42PM - 4:54PM
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L35.00008: A non-empirical improvement of PBE and its hybrid PBE0
Alberto Vela, Jorge M. del Campo, Jos\'e L. G\'azquez, S.B. Trickey
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Tuesday, February 28, 2012
4:54PM - 5:06PM
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L35.00009: Effect of the orbital-overlap dependence on Meta Generalized Gradient Approximation
Jianwei Sun, John Perdew, Bing Xiao, Adrienn Ruzsinszky
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Tuesday, February 28, 2012
5:06PM - 5:18PM
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L35.00010: The derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential
Xavier Andrade, Alan Aspuru-Guzik
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Tuesday, February 28, 2012
5:18PM - 5:30PM
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L35.00011: Multi-Scale Approach to Simulations of Kelvin Probe Force Microscopy
Ali Sadeghi, Alireza Ghasemi, Stefan Goedecker, Alexis Baratoff, Thilo Glatzel, Ernst Meyer
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