Wednesday, March 7, 2007
8:00AM - 8:36AM
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N19.00001: A New View of the Kondo Effect from an Ab Initio Embedded Configuration Interaction Theory
Invited Speaker:
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Wednesday, March 7, 2007
8:36AM - 9:12AM
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N19.00002: First-principles calculations of nanoscale capacitors at finite bias potential
Invited Speaker:
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Wednesday, March 7, 2007
9:12AM - 9:24AM
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N19.00003: \textit{Ab Initio} Quantum Simulations of Liquid Water
John Gergely, David Ceperley, Francois Gygi
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Wednesday, March 7, 2007
9:24AM - 9:36AM
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N19.00004: Adaptive multilevel Finite Element Method for Solving the Electronic Schr\"{o}dinger Equation
Eric Bylaska, Mike Holst, John Weare
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Wednesday, March 7, 2007
9:36AM - 9:48AM
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N19.00005: GW calculations of large model structures
Paolo Umari, Stefano Baroni
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Wednesday, March 7, 2007
9:48AM - 10:00AM
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N19.00006: Toward an accurate and practical description of Xe/Cu(111) physisorption
Garold Murdachaew, Stefano de Gironcoli, Patrick Huang, Emily Carter, Giacinto Scoles
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Wednesday, March 7, 2007
10:00AM - 10:12AM
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N19.00007: Boundary Conditions for States with Maximally Broken Time-Reversal Symmetry
Roger Haydock, C.M.M. Nex
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Wednesday, March 7, 2007
10:12AM - 10:24AM
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N19.00008: Importance of second neighborhood ensembles on PdAu bimetallic surfaces
Dingwang Yuan, Ruqian Wu, Xingao Gong
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Wednesday, March 7, 2007
10:24AM - 10:36AM
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N19.00009: Dielectric function by FLAPW method.
Tatsuya Shishidou, Tamio Oguchi
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Wednesday, March 7, 2007
10:36AM - 10:48AM
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N19.00010: State-of-the Art Procedure for the Calculation of Quartic Force Fields: Application to HO$_{2}^{+}$
Timothy Lee, Xinchuan Huang
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Wednesday, March 7, 2007
10:48AM - 11:00AM
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N19.00011: A Correct, Density Functional Description of Semiconductors
D. Bagayoko, G. Zhao, L. Franklin, H. Jon
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