Bulletin of the American Physical Society

APS March Meeting 2011

Volume 56, Number 1

Monday–Friday, March 21–25, 2011; Dallas, Texas

Session Index

Session Q16: Electronic Structure III	Show Abstracts
Sponsoring Units: DCOMP Chair: Pierre Darancet, Lawrence Berkeley National Laboratory Room: D173

Wednesday, March 23, 2011 11:15AM - 11:27AM		Q16.00001: Oxides -- a challenge for (theoretical) spectroscopy P. Rinke, H. Jiang, M. Scheffler, A. Greuling, M. Rohlfing, A. Janotti, E. Kioupakis, C. G. Van de Walle Preview Abstract
Wednesday, March 23, 2011 11:27AM - 11:39AM		Q16.00002: Calculated Electronic Properties of Rutile TiO$_{2}$ and Cubic SrTiO$_{3 }$ Chinedu Ekuma, Diola Bagayoko Preview Abstract
Wednesday, March 23, 2011 11:39AM - 11:51AM		Q16.00003: The confinement error corrections for the exchange energy in transition metal oxides Feng Hao, Rickard Armiento, Ann E. Mattsson Preview Abstract
Wednesday, March 23, 2011 11:51AM - 12:03PM		Q16.00004: First principles study of electronic and structural properties of CuO Burak Himmetoglu, Matteo Cococcioni Preview Abstract
Wednesday, March 23, 2011 12:03PM - 12:15PM		Q16.00005: Transition metal dioxides: a case for the intersite term in Hubbard-model functionals Heather Kulik, Nicola Marzari Preview Abstract
Wednesday, March 23, 2011 12:15PM - 12:27PM		Q16.00006: On the origins of the deficiencies of density functional theory exchange-correlation functionals for transition metal oxides Ann E. Mattsson, Rickard Armiento, Feng Hao Preview Abstract
Wednesday, March 23, 2011 12:27PM - 12:39PM		Q16.00007: Ab initio calculation of the orbital magnetization by Wannier interpolation Graham Lopez, David Vanderbilt, Ivo Souza, Timo Thonhauser Preview Abstract
Wednesday, March 23, 2011 12:39PM - 12:51PM		Q16.00008: Origin for the disorder-induced quantum criticality in NbFe$_2$ Aftab Alam, Duane Johnson Preview Abstract
Wednesday, March 23, 2011 12:51PM - 1:03PM		Q16.00009: Electronic structures of superionic conductor Li$_3$N Masaru Aoki, Yoshiyuki Ode, Kazuo Tsumuraya Preview Abstract
Wednesday, March 23, 2011 1:03PM - 1:15PM		Q16.00010: Why are the copper cations superionic in the $\alpha $-CuI crystal? Kazuo Tsumuraya, Takamitsu Ohtsuka, Hidekazu Tomono Preview Abstract
Wednesday, March 23, 2011 1:15PM - 1:27PM		Q16.00011: First-principles investigation of band offsets and dielectric properties of Silicon-Silicon Nitride interfaces Tuan Anh Pham, Tianshu Li, Francois Gygi, Giulia Galli Preview Abstract
Wednesday, March 23, 2011 1:27PM - 1:39PM		Q16.00012: STEM-EELS calculations including both fine structure and diffraction M.P. Prange, M.P. Oxley, S.J. Pennycook, S.T. Pantelides Preview Abstract
Wednesday, March 23, 2011 1:39PM - 1:51PM		Q16.00013: Extended Pi-Sigma tilde orbital model for CO adsorption on Pt and Ru Thomas Mion, Nicholas Dimakis, Faisal Alamgir, Cherno Jaye, Daniel Fischer, Paul McGinn, James Cooper, Steve Greenbaum, Eugene Smotkin Preview Abstract
Wednesday, March 23, 2011 1:51PM - 2:03PM		Q16.00014: Chirality and Electronic Structure of the Thiolate-Protected Au$_{38}$ Nanocluster Olga Lopez-Acevedo, Hironori Tsunoyama, Tatsuya Tsukuda, Hannu H\"akkinen, Christine M. Aikens Preview Abstract
Wednesday, March 23, 2011 2:03PM - 2:15PM		Q16.00015: Pseudospectral Calculation of Helium Wave Functions, Expectation Values, and Oscillator Strength Paul Grabowski, David Chernoff Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2011

Volume 56, Number 1

Monday–Friday, March 21–25, 2011; Dallas, Texas

Session Index

Session Q16: Electronic Structure III

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