Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session G24: Electronic Structure Methods II	Show Abstracts
Sponsoring Units: DCOMP Chair: James Chelikowski, University of Texas at Austin Room: 203AB

Tuesday, March 3, 2015 11:15AM - 11:27AM		G24.00001: Improved forces and nonlocal operators using high- order integration Grady Schofield, N. Scott Bobbitt, Charles Lena, James R. Chelikowsky Preview Abstract
Tuesday, March 3, 2015 11:27AM - 11:39AM		G24.00002: Electronic correlation contributions to structural energies Roger Haydock Preview Abstract
Tuesday, March 3, 2015 11:39AM - 11:51AM		G24.00003: Optimization Algorithm for the Generation of ONCV Pseudopotentials Martin Schlipf, Francois Gygi Preview Abstract
Tuesday, March 3, 2015 11:51AM - 12:03PM		G24.00004: MBTS Boundary Conditions in Continuous Systems G. A. Benesh, Roger Haydock Preview Abstract
Tuesday, March 3, 2015 12:03PM - 12:15PM		G24.00005: Quantal Density Functional Theory (QDFT): Further Understandings Viraht Sahni, Xiao-Yin Pan, Tao Yang Preview Abstract
Tuesday, March 3, 2015 12:15PM - 12:27PM		G24.00006: Sum grequency generation spectroscopy from first principles Quan Wan, Giulia Galli Preview Abstract
Tuesday, March 3, 2015 12:27PM - 12:39PM		G24.00007: A first principles method for simulating phonons in strongly disordered materials Tom Berlijn, Olivier Delaire, Ben Larson Preview Abstract
Tuesday, March 3, 2015 12:39PM - 12:51PM		G24.00008: Real-Space Multiple-Scattering X-ray Absorption Spectroscopy Calculations of $d$- and $f$-state Materials using a Hubbard Model Christian Vorwerk, Kevin Jorissen, John Rehr, Ahmed Towfiq Preview Abstract
Tuesday, March 3, 2015 12:51PM - 1:03PM		G24.00009: Partial Rayleigh-Ritz procedure for quasi-minimal basis sets Vincent Michaud-Rioux, Hong Guo Preview Abstract
Tuesday, March 3, 2015 1:03PM - 1:15PM		G24.00010: Spectral function from Reduced Density Matrix Functional Theory Pina Romaniello, Stefano Di Sabatino, Jan A. Berger, Lucia Reining Preview Abstract
Tuesday, March 3, 2015 1:15PM - 1:27PM		G24.00011: Kohn-Sham Band Structure Benchmark Including Spin-Orbit Coupling for 2D and 3D Solids William Huhn, Volker Blum Preview Abstract
Tuesday, March 3, 2015 1:27PM - 1:39PM		G24.00012: Self diffusion of water molecules simulated by model inter-atomic potentials determined by a combination of first-principles calculation and multi-canonical ensembles: exchange-correlation functional dependence Yoshihide Yoshimoto Preview Abstract
Tuesday, March 3, 2015 1:39PM - 1:51PM		G24.00013: Quantum pressure in molecules and solids: Influence of magnetic fields and spin-orbit coupling on electron localization Jianmin Tao, Shi Liu, Fan Zheng, Andrew M. Rappe Preview Abstract
Tuesday, March 3, 2015 1:51PM - 2:03PM		G24.00014: ABSTRACT WITHDRAWN Preview Abstract
Tuesday, March 3, 2015 2:03PM - 2:15PM		G24.00015: First-principles study of two-dimensional electride: Yttrium carbide Chandani Nandadasa, Sungho Kim, Seong-Gon Kim, Young Lee, Sung Kim Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session G24: Electronic Structure Methods II

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