Tuesday, March 22, 2011
8:00AM - 8:12AM
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H18.00001: Spectral element solution of the Kohn-Sham atom
Kristopher Andersen, Noam Bernstein, John Pask
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Tuesday, March 22, 2011
8:12AM - 8:24AM
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H18.00002: Ab initio calculations of optical absorption spectra: Solution of the Bethe-Salpeter equation within density matrix perturbation theory
Dario Rocca, Deyu Lu, Huy-Viet Nguyen, Giulia Galli
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Tuesday, March 22, 2011
8:24AM - 8:36AM
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H18.00003: Ab-initio calculations of absorption spectra of nanowires by solving the Bethe-Salpeter Equation
Yuan Ping, Dario Rocca, Deyu Lu, Giulia Galli
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Tuesday, March 22, 2011
8:36AM - 8:48AM
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H18.00004: Efficient GW calculations using eigenvalue-eigenvector decomposition of the dielectric matrix
Huy-Viet Nguyen, T. Anh Pham, Dario Rocca, Giulia Galli
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Tuesday, March 22, 2011
8:48AM - 9:00AM
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H18.00005: A TDLDA+U approach on strongly hybridized Frenkel excitons in Mott insulators and implications to TDDFT and GW+BSE
Chi-Cheng Lee, H.C. Hsueh, Wei Ku
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Tuesday, March 22, 2011
9:00AM - 9:12AM
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H18.00006: Level alignment at covalently bonded metal-organic interfaces within the GW approximation
Jeffrey Neaton, Isaac Tamblyn, Su Ying Quek, Stanimir Bonev, Pierre Darancet
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Tuesday, March 22, 2011
9:12AM - 9:24AM
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H18.00007: GW approach to degenerate systems
Johannes Lischner, Jack Deslippe, Steven G. Louie
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Tuesday, March 22, 2011
9:24AM - 9:36AM
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H18.00008: Ab-initio theory of spin fluctuations in magnets
Vladimir Antropov, Liqin Ke, Mark van Schilfgaarde, Mikhael Katsnelson
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Tuesday, March 22, 2011
9:36AM - 9:48AM
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H18.00009: A GW-based many-body perturbation theory approach for investigating materials with strong spin-orbit coupling
Bradford Barker, Jack Deslippe, Oleg Yazyev, Steven Louie
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Tuesday, March 22, 2011
9:48AM - 10:00AM
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H18.00010: Self-consistent band-structure calculations at GW quality and DFT expense
Stephan Lany, P. Graf, M. d'Avezac, A. Zunger
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Tuesday, March 22, 2011
10:00AM - 10:12AM
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H18.00011: The sc-COHSEX+GW and the static off-diagonal GW approaches to quasiparticle wavefunctions and energies
Jack Deslippe, Manish Jain, Georgy Samsonidze, Marvin Cohen, Steven Louie
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Tuesday, March 22, 2011
10:12AM - 10:24AM
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H18.00012: Constructing unoccupied states for G$_0$W$_0$ quasiparticle calculations from plane-waves
Georgy Samsonidze, Manish Jain, Jack Deslippe, Marvin L. Cohen, Steven G. Louie
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Tuesday, March 22, 2011
10:24AM - 10:36AM
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H18.00013: On-site screened Coulomb interactions for localized electrons in transition metal oxides and defect systems
Bi-Ching Shih, Peihong Zhang
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Tuesday, March 22, 2011
10:36AM - 10:48AM
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H18.00014: Optimizing Generalized Norm-Conserving Pseudopotentials
D.R. Hamann
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Tuesday, March 22, 2011
10:48AM - 11:00AM
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H18.00015: Development of a Semi-empirical Hamiltonian for Phosphorus for Quantum Mechanics Based Simulations of Phosphorous-based Nanostructures
Paul Tandy, Christopher Leahy, Ming Yu, C.S. Jayanthi, S.Y. Wu
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