Tuesday, March 16, 2010
11:15AM - 11:51AM
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J28.00001: Semi-empirical density functionals
Invited Speaker:
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Tuesday, March 16, 2010
11:51AM - 12:03PM
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J28.00002: Van der Waals forces in solids: Challenges for density functionals
Guo-Xu Zhang, Alexandre Tkatchenko, Matthias Scheffler
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Tuesday, March 16, 2010
12:03PM - 12:15PM
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J28.00003: A first-principles study of weakly bound molecules using exact exchange and the Random Phase Approximation
Huy-Viet Nguyen, Giulia Galli
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Tuesday, March 16, 2010
12:15PM - 12:27PM
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J28.00004: Spectrum slicing methods to solve the Kohn-Sham problem
Grady Schofield, James Chelikowsky
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Tuesday, March 16, 2010
12:27PM - 12:39PM
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J28.00005: Van der Waals Interactions in Density Functional Theory: Intermolecular Complexes
Felix Kannemann, Axel Becke
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Tuesday, March 16, 2010
12:39PM - 12:51PM
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J28.00006: Chemical accuracy for the van der Waals density functional
Jiri Klimes, David Bowler, Angelos Michaelides
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Tuesday, March 16, 2010
12:51PM - 1:27PM
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J28.00007: Two-electron Reduced-Density-Matrix Mechanics: With Application to Many-electron Atoms and Molecules
Invited Speaker:
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Tuesday, March 16, 2010
1:27PM - 1:39PM
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J28.00008: First principles EPR spectra of organic transition metal complexes
Davide Ceresoli, Elise Li, Nicola Marzari
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Tuesday, March 16, 2010
1:39PM - 1:51PM
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J28.00009: Hartree-Fock and Kohn-Sham method for open systems
Yongxi Zhou, Matthias Ernzerhof
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Tuesday, March 16, 2010
1:51PM - 2:03PM
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J28.00010: A Converse Approach to NMR Chemical Shifts for Norm-Conserving Pseudopotentials
Graham Lopez, Davide Ceresoli, Nicola Marzari, Timo Thonhauser
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Tuesday, March 16, 2010
2:03PM - 2:15PM
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J28.00011: Beyond a single solvated electron: Hybrid quantum Monte Carlo and molecular mechanics approach
Dmitry Zubarev, Gary Clark, Teresa Head-Gordon, William Lester
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