Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session A8: Electronic Structure Theory	Show Abstracts
Sponsoring Units: DCOMP Chair: Michael Widom, Carnegie Mellon University Room: 267

Monday, March 13, 2017 8:00AM - 8:12AM		A8.00001: First-principles Studies of the Role of Defects and Impurities on the Optical Properties of Barium Halide Storage Phosphors and Scintillator Materials Andrew Canning, Bharat Medasani, Mauro Del Ben, Edith Bourret, Gregory Bizarri Preview Abstract
Monday, March 13, 2017 8:12AM - 8:24AM		A8.00002: Ab Initio study on structural, electronic, magnetic and dielectric properties of LSNO within Density Functional Perturbation Theory John Petersen, Friedhelm Bechstedt, J\"urgen Furthm\"uller, Luisa Scolfaro Preview Abstract
Monday, March 13, 2017 8:24AM - 8:36AM		A8.00003: Semilocal Density Functional with High Accuracy for Molecules and Solids Jianmin Tao, Guocai Tian, Yuxiang Mo Preview Abstract
Monday, March 13, 2017 8:36AM - 8:48AM		A8.00004: Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel Dario Rocca, Anant Dixit, Janos Angyan Preview Abstract
Monday, March 13, 2017 8:48AM - 9:00AM		A8.00005: Semi-Local DFT Functionals with Exact-Exchange-Like Features: Beyond the AK13 Rickard Armiento Preview Abstract
Monday, March 13, 2017 9:00AM - 9:12AM		A8.00006: Hybrid functional pseudopotentials Jing Yang, Liang Z. Tan, Andrew M. Rappe Preview Abstract
Monday, March 13, 2017 9:12AM - 9:24AM		A8.00007: Fully self-consistent Fermi-orbital self-interaction correction in density-functional theory Zenghui Yang, Mark Pederson, John Perdew Preview Abstract
Monday, March 13, 2017 9:24AM - 9:36AM		A8.00008: GW for transition metal oxide perovskites Zeynep Ergonenc, Bongjae Kim, Peitao Liu, Georg Kresse, Cesare Franchini Preview Abstract
Monday, March 13, 2017 9:36AM - 9:48AM		A8.00009: First-principles simulations of doping-dependent mesoscale screening of adatoms in graphene Arash Mostofi, Fabiano Corsetti, Dillon Wong, Michael Crommie, Johannes Lischner Preview Abstract
Monday, March 13, 2017 9:48AM - 10:00AM		A8.00010: Investigation into the inadequacy of cRPA in reproducing screening in strongly correlated systems QIANG HAN, Bismayan Chakrabarti, Kristjan Haule Preview Abstract
Monday, March 13, 2017 10:00AM - 10:12AM		A8.00011: Adaptive molecular dynamics for long time-scale simulations Yuki Sakai, James R. Chelikowsky Preview Abstract
Monday, March 13, 2017 10:12AM - 10:24AM		A8.00012: Systematic method to improve first principle calculations of materials under extreme conditions Justin Smith, Kieron Burke Preview Abstract
Monday, March 13, 2017 10:24AM - 10:36AM		A8.00013: Multielectron Effects in High Harmonic Generation: A Time-Dependent Density Functional Theory Approach Paul Abanador, Francois Mauger, Kenneth Lopata, Mette Gaarde, Kenneth Schafer Preview Abstract
Monday, March 13, 2017 10:36AM - 10:48AM		A8.00014: Investigating density functional theory with the density matrix renormalization group Thomas E. Baker, Steven R. White, Kieron Burke Preview Abstract
Monday, March 13, 2017 10:48AM - 11:00AM		A8.00015: Large-scale DFT calculations using multi-site support functions in CONQUEST Ayako Nakata, David Bowler, Tsuyoshi Miyazaki Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session A8: Electronic Structure Theory

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