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 T24: Electronic Structure Methods IV	Show Abstracts
Sponsoring Units: DCOMP Room: 203AB

Thursday, March 5, 2015 11:15AM - 11:27AM		T24.00001: Reduced Density-Matrix Functional Theory: correlation and spectroscopy Stefano Di Sabatino, Arjan Berger, Lucia Reining, Pina Romaniello Preview Abstract
(Author Not Attending)		T24.00002: A problem with the stress theorem commonly used in DFT codes Donald Nicholson Preview Abstract
Thursday, March 5, 2015 11:39AM - 11:51AM		T24.00003: Predictive DFT$+$U Methods for Small Molecule Binding in MOF-74 Gregory Mann, Kyuho Lee, Matteo Cococcioni, Berend Smit, Jeffrey Neaton Preview Abstract
Thursday, March 5, 2015 11:51AM - 12:03PM		T24.00004: Density versus spin-density functional in DFT+U and DFT+DMFT Hyowon Park, Andrew Millis, Chris Marianetti Preview Abstract
Thursday, March 5, 2015 12:03PM - 12:15PM		T24.00005: The Hubbard Dimer: A Complete DFT Solution to a Many-Body Problem Justin Smith, Diego Carrascal, Jaime Ferrer, Kieron Burke Preview Abstract
Thursday, March 5, 2015 12:15PM - 12:27PM		T24.00006: Development of a DFT$+$DMFT method using multi-orbital impurity solver Mancheon Han, Hyungju Oh, Choong-ki Lee, Hyoung Joon Choi Preview Abstract
Thursday, March 5, 2015 12:27PM - 12:39PM		T24.00007: Nonorthogonal generalized hybrid Wannier functions for linear scaling DFT simulations of surfaces and interfaces Andrea Greco, Arash Mostofi, John Freeland Preview Abstract
Thursday, March 5, 2015 12:39PM - 12:51PM		T24.00008: Performance and Accuracy of Recursive Subspace Bisection for Hybrid DFT Calculations William Dawson, Francois Gygi Preview Abstract
Thursday, March 5, 2015 12:51PM - 1:03PM		T24.00009: Speeding up DFT: A faster method for integrating band energy in SCF cycles Matthew M. Burbidge, Jeremy J. Jorgensen, Conrad W. Rosenbrock, Derek C. Thomas, Bret C. Hess, Rodney W. Forcade, Stefano Curtarolo, Gus L. W. Hart Preview Abstract
Thursday, March 5, 2015 1:03PM - 1:15PM		T24.00010: Efficient parameter-free calculation of absorption spectra for insulators, semiconductors and metals from time-dependent current DFT Arjan Berger Preview Abstract
Thursday, March 5, 2015 1:15PM - 1:27PM		T24.00011: Gauge invariant calculation of magnetic properties from time-dependent current DFT Nathaniel Raimbault, Paul L. de Boeij, Pina Romaniello, Arjan Berger Preview Abstract
Thursday, March 5, 2015 1:27PM - 1:39PM		T24.00012: Accurate Energies and Orbital Description in Semi-Local Kohn-Sham DFT Alexander Lindmaa, Stephan Kuemmel, Rickard Armiento Preview Abstract
Thursday, March 5, 2015 1:39PM - 1:51PM		T24.00013: Understanding Density Functional Theory (DFT) and Completing it in Practice Diola Bagayoko Preview Abstract
Thursday, March 5, 2015 1:51PM - 2:03PM		T24.00014: Elimination of the fractional dissociation problem in Kohn-Sham DFT using the ensemble-generalization approach Eli Kraisler, Leeor Kronik Preview Abstract
Thursday, March 5, 2015 2:03PM - 2:15PM		T24.00015: Representability of Bloch states on Projector-augmented-wave (PAW) basis sets Luis Agapito, Andrea Ferretti, Stefano Curtarolo, Marco Buongiorno Nardelli 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 T24: Electronic Structure Methods IV

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