Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session V13: Focus Session: Frontiers in Electronic Structure Theory III	Show Abstracts
Sponsoring Units: DCP DCOMP Chair: Wei Ku, Brookhaven National Laboratory Room: Morial Convention Center 204

Thursday, March 13, 2008 11:15AM - 11:27AM		V13.00001: Dielectric Properties of Ice and Liquid Water from First Principle Calculations Deyu Lu, Francois Gygi, Giulia Galli Preview Abstract
Thursday, March 13, 2008 11:27AM - 11:39AM		V13.00002: Strong hybridization of Frenkel excitons in Mott insulators: a novel Wannier function perspective* Chi-Cheng Lee, H. C. Hsueh, Wei Ku Preview Abstract
Thursday, March 13, 2008 11:39AM - 11:51AM		V13.00003: Propagation of strongly bound Frenkel excitons in LiF: An effective two-particle kinematic approach of super-atom in ab initio Wannier basis Chen-Lin Yeh, Hung-Chung Hsueh, Wei Ku Preview Abstract
Thursday, March 13, 2008 11:51AM - 12:03PM		V13.00004: Ab-initio Total Energy Calculation for Full-potential Multiple Scattering Theory Methods Yang Wang, Aurelian Rusanu, Malcolm Stocks, Don Nicholson, Markus Eisenbach Preview Abstract
Thursday, March 13, 2008 12:03PM - 12:15PM		V13.00005: A quantum chemistry roadmap towards highly accurate adsorption energies at ionic surfaces Bo Li, Angelos Michaelides, Matthias Scheffler Preview Abstract
Thursday, March 13, 2008 12:15PM - 12:27PM		V13.00006: Surface energies of semiconductors by the energy density method Min Yu, Richard M. Martin Preview Abstract
Thursday, March 13, 2008 12:27PM - 1:03PM		V13.00007: Electron-phonon interaction using Wannier functions: from single-layer graphene to cuprate superconductors Invited Speaker: Preview Abstract
Thursday, March 13, 2008 1:03PM - 1:15PM		V13.00008: Ensemble density functional theory, the atom-in-molecule problem, and reactive charge transfer Susan Atlas, Steven Valone Preview Abstract
Thursday, March 13, 2008 1:15PM - 1:27PM		V13.00009: Correction of Finite Size Errors in Many-body Electronic Structure Calculations Hendra Kwee, Shiwei Zhang, Henry Krakauer Preview Abstract
Thursday, March 13, 2008 1:27PM - 1:39PM		V13.00010: Embedding quantum-mechanics in an interatomic potential simulation using local energies Noam Bernstein, Gabor Csanyi Preview Abstract
Thursday, March 13, 2008 1:39PM - 1:51PM		V13.00011: The search for minimum-energy atomic configurations on a lattice: Lamarckian twist on Darwinian Evolution Mayeul d'Avezac, Alex Zunger Preview Abstract
Thursday, March 13, 2008 1:51PM - 2:03PM		V13.00012: Using genetic algorithms to find from first-principles the minimum-energy crystal structure starting from random cell vectors and random atomic positions. G. Trimarchi, M. D'Avezac, Alex Zunger Preview Abstract
Thursday, March 13, 2008 2:03PM - 2:15PM		V13.00013: From grand-canonical density functional theory towards rational compound design Anatole von Lilienfeld Preview Abstract

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Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session V13: Focus Session: Frontiers in Electronic Structure Theory III

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