Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session A27: Electronic Structure Methods I	Show Abstracts
Sponsoring Units: DCOMP Chair: Brandon Cook, Oak Ridge National Laboratory Room: 501

Monday, March 3, 2014 8:00AM - 8:12AM		A27.00001: Selectively Localized and Symmetric Wannier Functions Runzhi Wang, Emanuel Lazar, Hyowon Park, Andrew Millis, Chris Marianetti Preview Abstract
Monday, March 3, 2014 8:12AM - 8:24AM		A27.00002: Failure of hybrid functionals to predict band gaps of materials at nanoscale Xinquan Wang, Zhigang Wu Preview Abstract
Monday, March 3, 2014 8:24AM - 8:36AM		A27.00003: DFT properties of Quasi-One-Dimensional Nanostructured Materials John Mintmire, Junwen Li, Daniel Gunlycke, Carter White Preview Abstract
Monday, March 3, 2014 8:36AM - 8:48AM		A27.00004: A Self-consistent Mixing Parameter Scheme for Hybrid Functionals Applied to Periodic Systems Jonathan Skone, Marco Govoni, Giulia Galli Preview Abstract
Monday, March 3, 2014 8:48AM - 9:00AM		A27.00005: Charged excitations in extended nanostructures from Koopmans-compliant functionals Nicolas Poilvert, Ismaila Dabo Preview Abstract
Monday, March 3, 2014 9:00AM - 9:12AM		A27.00006: Hybrid functional and quasiparticle calculations of the Schottky barrier height at TiN/HfO$_{2}$ interface Young Jun Oh, Alex Taekyung Lee, Hyeon-Kyun Noh, K.J. Chang Preview Abstract
Monday, March 3, 2014 9:12AM - 9:24AM		A27.00007: Unfolding the Berry curvature of supercell calculations Raffaello Bianco, Raffaele Resta, Ivo Souza Preview Abstract
Monday, March 3, 2014 9:24AM - 9:36AM		A27.00008: Relaxation of atomic orbitals in a plane-wave basis set Jose Luis Martins, Carlos L. Reis Preview Abstract
Monday, March 3, 2014 9:36AM - 9:48AM		A27.00009: Consistent treatment of charged systems within periodic boundary conditions: The Projector Augmented-Wave and pseudopotential methods revisited Jean-Paul Crocombette, Fabien Bruneval, Xavier Gonze, Boris Dorado, Marc Torrent, Francois Jollet Preview Abstract
Monday, March 3, 2014 9:48AM - 10:00AM		A27.00010: A finite-size supercell correction scheme for charged defects in one-dimensional systems: Application to impurities in silicon nanowires Sunghyun Kim, Ji-Sang Park, K.J. Chang Preview Abstract
Monday, March 3, 2014 10:00AM - 10:12AM		A27.00011: Optimized Gaussian Basis Sets for Plane-Wave Compatible Calculations Jin Cheng, Florian Libisch, Mohan Chen, Emily Carter Preview Abstract
Monday, March 3, 2014 10:12AM - 10:24AM		A27.00012: Shirley Reduced Basis DFT: plane-wave generality and accuracy at reduced computational cost Maxwell Hutchinson, David Prendergast Preview Abstract
Monday, March 3, 2014 10:24AM - 10:36AM		A27.00013: Relativistic Optimized Norm-Conserving Vanderbilt Pseudopotentials D.R. Hamann Preview Abstract
Monday, March 3, 2014 10:36AM - 10:48AM		A27.00014: Visualizing the Kohn-Sham kinetic energy density in molecules Antonio C. Cancio, Aeryk Kuna Preview Abstract
Monday, March 3, 2014 10:48AM - 11:00AM		A27.00015: An investigation of the generalized phase shifts and the integrated density of states for full-potential single site scattering G. Malcolm Stocks, Yang Wang, J. Sam Faulkner Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session A27: Electronic Structure Methods I

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