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 L27: Electronic Structure Methods III	Show Abstracts
Sponsoring Units: DCOMP Chair: James Shepherd, Rice University Room: 501

Wednesday, March 5, 2014 8:00AM - 8:12AM		L27.00001: Probing the electronic structure of liquid water with many-body perturbation theory Tuan Anh Pham, Cui Zhang, Eric Schwegler, Giulia Galli Preview Abstract
Wednesday, March 5, 2014 8:12AM - 8:24AM		L27.00002: Hybrid DFT First-Principles Study of the Properties of Water Martin Schlipf, Francois Gygi Preview Abstract
Wednesday, March 5, 2014 8:24AM - 8:36AM		L27.00003: Accurate calculation of the x-ray absorption spectrum of water via the GW/Bethe-Salpeter equation Keith Gilmore, John Vinson, Josh Kas, Fernando Vila, John Rehr Preview Abstract
Wednesday, March 5, 2014 8:36AM - 8:48AM		L27.00004: Sum frequency generation spectra of ice surfaces from first principles simulations Quan Wan, Francois Gygi, Giulia Galli Preview Abstract
Wednesday, March 5, 2014 8:48AM - 9:00AM		L27.00005: Energy Level Alignment at Aqueous GaN and ZnO Interfaces Mark S. Hybertsen, Neerav Kharche, James T. Muckerman Preview Abstract
Wednesday, March 5, 2014 9:00AM - 9:12AM		L27.00006: Structural and electronic properties of NaCl dissolved in water Alex P. Gaiduk, Francois Gygi, Giulia Galli Preview Abstract
Wednesday, March 5, 2014 9:12AM - 9:24AM		L27.00007: \textit{Ab-Initio} Calculations of the Electronic Properties of Boron Nitride Anthony Stewart, Bethuel Khamala, Daniel Hart, Diola Bagayoko Preview Abstract
Wednesday, March 5, 2014 9:24AM - 9:36AM		L27.00008: Ab-initio atomic level stresses in Cu-Zr systems Madhusudan Ojha, Don M. Nicholson, Takeshi Egami Preview Abstract
Wednesday, March 5, 2014 9:36AM - 9:48AM		L27.00009: Ab initio DFT calculations of vibrational properties S.M. Story, F.D. Vila, J.J. Kas, J.J. Rehr Preview Abstract
Wednesday, March 5, 2014 9:48AM - 10:00AM		L27.00010: End-group Influence on the Frontier Molecular Orbital Reorganization in Molecular Junctions --- Effect on Thermopower Janakiraman Balachandran, Pramod Reddy, Barry Dunietz, Vikram Gavini Preview Abstract
Wednesday, March 5, 2014 10:00AM - 10:12AM		L27.00011: Momentum-dependent local ansatz approach to correlated electrons Yoshiro Kakehashi, Sumal Chandra, M. Atiqur R. Patoary Preview Abstract
Wednesday, March 5, 2014 10:12AM - 10:24AM		L27.00012: Effects of local atomic environment and atomic long range order on magnetism in Fe-Al alloys Sergii Khmelevskyi Preview Abstract
Wednesday, March 5, 2014 10:24AM - 10:36AM		L27.00013: Applications of DFT to Lanthanides and Precious Metal Complexes Alex Balboa, Margaret Hurley, Amanda Jenkins Preview Abstract
Wednesday, March 5, 2014 10:36AM - 10:48AM		L27.00014: First-Principles Calculations of Magnetic Properties of MnBi doped with Co Chandani N. Nandadasa, Vivek Dikshith, Sungho Kim, Seong-Gon Kim, Jihoon Park, Yang-Ki Hong Preview Abstract
Wednesday, March 5, 2014 10:48AM - 11:00AM		L27.00015: Effect of Orbital Differentiation on Magnetism in the 111 iron-based superconductors Ming-Cui Ding, Yu-Zhong Zhang 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 L27: Electronic Structure Methods III

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