Thursday, March 24, 2011
11:15AM - 11:27AM
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W24.00001: A conventional, massively parallel eigensolver for electronic structure theory
V. Blum, M. Scheffler, R. Johanni, H. Lederer, Th. Auckenthaler, Th. Huckle, H.-J. Bungartz, L. Kr\"amer, P. Willems, B. Lang, V. Havu
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Thursday, March 24, 2011
11:27AM - 11:39AM
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W24.00002: GPAW on Blue Gene/P
Nichols Romero, Jussi Enkovaara, Marcin Dulak, Christian Glinsvad, Ask Larsen, Jens Mortensen, Sameer Shende, Vitali Morozov, Jeffrey Greeley
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Thursday, March 24, 2011
11:39AM - 11:51AM
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W24.00003: Application of partition density-functional theory to model systems
Larry Boyer, Michael Mehl
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Thursday, March 24, 2011
11:51AM - 12:03PM
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W24.00004: Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo Benchmarks
Michal Bajdich, Jeognim Kim, Paul R.C. Kent, Fernando A. Reboredo
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Thursday, March 24, 2011
12:03PM - 12:15PM
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W24.00005: Periodic Density Functional Theory Solver using Multiresolution Analysis with MADNESS
Robert Harrison, William Thornton
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Thursday, March 24, 2011
12:15PM - 12:27PM
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W24.00006: A Robust Spectrum Slicing Method Applied to the Kohn-Sham Equation for the Liquid/Solid Silicon Interface
Grady Schofield, James Chelikowsky
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Thursday, March 24, 2011
12:27PM - 12:39PM
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W24.00007: Beyond the LDA in density functional theory: empirical Laplacian-based models for the exchange-correlation energy
Antonio C. Cancio, Christopher E. Wagner
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Thursday, March 24, 2011
12:39PM - 12:51PM
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W24.00008: Better GGA and meta-GGA Functionals: VT{84}, meta-VMT, meta-VT{84}
Alberto Vela, J. Martin del Campo, J.L. Gazquez, S.B. Trickey
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Thursday, March 24, 2011
12:51PM - 1:03PM
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W24.00009: All-Electron and Pseudopotential Orbital-Free Density Functional Calculations
Valentin Karasiev, T. Sjostrom, S.B. Trickey
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Thursday, March 24, 2011
1:03PM - 1:15PM
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W24.00010: Contributions to the Non-interacting Free Energy Density Functional
S.B. Trickey, James Dufty, T. Sjostrom
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Thursday, March 24, 2011
1:15PM - 1:27PM
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W24.00011: Finite-size correction in many-body electronic structure calculations of spin polarized systems
Fengjie Ma, Shiwei Zhang, Henry Krakauer
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Thursday, March 24, 2011
1:27PM - 1:39PM
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W24.00012: Generalization of the Hohenberg-Kohn theorem to the case of the presence of a magnetic field
Viraht Sahni, Xiaoyin Pan
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Thursday, March 24, 2011
1:39PM - 1:51PM
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W24.00013: Quantal density functional theory (QDFT) in the presence of a magnetic field
Xiaoyin Pan, Tao Yang, Viraht Sahni
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Thursday, March 24, 2011
1:51PM - 2:03PM
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W24.00014: Quantum Continuum Mechanics for Many-Electron Systems in a Strong Magnetic Field
Stefano Pittalis, I.V. Tokatly, G. Vignale
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Thursday, March 24, 2011
2:03PM - 2:15PM
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W24.00015: First principles finite temperature magnetism of defects in Fe using Wang-Landau method
Aurelian Rusanu, D.M. Nicholson, Kh. Odbadrakh, Gregory Brown, Markus Eisenbach
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