Wednesday, March 12, 2008
2:30PM - 2:42PM
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S13.00001: Total and self-energies beyond LDA and GGA: exact-exchange, {\it GW} and MP2 united by numeric atom-centered orbitals
Xinguo Ren, Andrea Sanfilippo, Alexandre Tkatchenko, Patrick Rinke, Volker Blum, Karsten Reuter, Matthias Scheffler
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Wednesday, March 12, 2008
2:42PM - 2:54PM
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S13.00002: Order N Implementation of Exact Exchange
Xifan Wu, Annabella Selloni, Roberto Car
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Wednesday, March 12, 2008
2:54PM - 3:06PM
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S13.00003: Accurate and fast DFT calculations with the AM05 functional
Ann E. Mattsson
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Wednesday, March 12, 2008
3:06PM - 3:42PM
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S13.00004: Beller Lectureship Talk: Exploring Exact Exchange for collinear and non-collinear magnetism
Invited Speaker:
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Wednesday, March 12, 2008
3:42PM - 3:54PM
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S13.00005: A GGA+U approach to realistic modeling of transition-metal complexes
Heather Kulik, Nicola Marzari
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Wednesday, March 12, 2008
3:54PM - 4:06PM
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S13.00006: Accurate description of the bonding of C$_6$H$_6$ at noble metal surfaces, using a local exchange-correlation correction scheme
Erik McNellis, Karsten Reuter, Matthias Scheffler
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Wednesday, March 12, 2008
4:06PM - 4:18PM
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S13.00007: Transcorrelated method applied to covalent and ionic solids: total energy and band structure calculation
Keitaro Sodeyama, Shinji Tsuneyuki, Rei Sakuma
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Wednesday, March 12, 2008
4:18PM - 4:30PM
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S13.00008: System-averaged exchange and correlation holes in third-row atoms
Antonio C. Cancio
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Wednesday, March 12, 2008
4:30PM - 4:42PM
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S13.00009: RPA Correlation Energy in ACFD Formalism with Thomas-Fermi-von Weizs\"{a}cker Approximation
Viet Huy Nguyen, Stefano de Gironcoli
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Wednesday, March 12, 2008
4:42PM - 4:54PM
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S13.00010: Generalized density functional theory for effective potentials in many-body electronic structure
F. A. Reboredo, P. R. C. Kent
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Wednesday, March 12, 2008
4:54PM - 5:06PM
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S13.00011: Towards QMC benchmarks for large scale dispersive interactions
Jonathan L DuBois, Randolph Q. Hood, Sebastien Hamel, Eric R. Schwegler
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Wednesday, March 12, 2008
5:06PM - 5:18PM
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S13.00012: Real or artifactual symmetry breaking in BNB: A fixed-node diffusion Monte Carlo study
Wissam A. Al-Saidi, Cyrus Umrigar
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Wednesday, March 12, 2008
5:18PM - 5:30PM
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S13.00013: Potential Energy Curves and Excited States of the C$_2$ Molecule by Auxiliary-Field Quantum Monte Carlo (AFQMC)
Wirawan Purwanto, Henry Krakauer, Shiwei Zhang, Wissam Al-Saidi
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