Monday, March 14, 2016
11:15AM - 11:51AM
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B31.00001: Self-Interaction Corrected Density Functional Approximations with Unitary Invariance: Applications to Molecules
Invited Speaker:
Mark Pederson
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Monday, March 14, 2016
11:51AM - 12:03PM
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B31.00002: Fermi-orbitals for improved electronic structure calculations on coordination complexes.
Der-you Kao, Mark R. Pederson, James D. Lee
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Monday, March 14, 2016
12:03PM - 12:15PM
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B31.00003: Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation
Torsten Hahn, Simon Liebing, Jens Kortus, Mark Pederson
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Monday, March 14, 2016
12:15PM - 12:27PM
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B31.00004: Magnetic Exchange Couplings in Transition Metal Complexes from DFT
Juan Peralta
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Monday, March 14, 2016
12:27PM - 12:39PM
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B31.00005: Local spin analyses using density functional theory
Bayileyegn Abate, Juan Peralta
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Monday, March 14, 2016
12:39PM - 1:15PM
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B31.00006: The Lieb-Oxfourd bound and the exchange-correlation kernel from the strictly-correlated electrons functional
Invited Speaker:
Paola Gori-Giorgi
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Monday, March 14, 2016
1:15PM - 1:27PM
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B31.00007: Exchange-correlation functionals from a local interpolation along the adiabatic connection
Stefan Vuckovic, Tom Irons, Andrew Teale, Andreas Savin, Paola Gori-Giorgi
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Monday, March 14, 2016
1:27PM - 1:39PM
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B31.00008: The exact density functional for two electrons in one dimension
Aron Cohen, Paula Mori-Sanchez
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Monday, March 14, 2016
1:39PM - 1:51PM
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B31.00009: Landscape of the exact energy functional for a simplified universe
Paula Mori-Sanchez, Aron Cohen
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Monday, March 14, 2016
1:51PM - 2:03PM
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B31.00010: Spontaneous charge carrier localization in extended one-dimensional systems
Vojt\v{e}ch Vl\v{c}ek, Helen Eisenberg, Gerd Steinle-Neumann, Roi Baer
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Monday, March 14, 2016
2:03PM - 2:15PM
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B31.00011: Self-consistent calculation of Hubbard U parameters within linear-scaling DFT
Glenn Moynihan, Gilberto Teobaldi, David D. O'Regan
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