Bulletin of the American Physical Society

APS March Meeting 2010

Volume 55, Number 2

Monday–Friday, March 15–19, 2010; Portland, Oregon

Session Index

Session T23: Density Functional Theory II	Show Abstracts
Sponsoring Units: DCOMP Chair: Neepa Maitra, Hunter College, CUNY Room: C125-C126

Wednesday, March 17, 2010 2:30PM - 2:42PM		T23.00001: Particle Number and Probability Density Functional Theory, and A-representability Viraht Sahni, Xiaoyin Pan Preview Abstract
Wednesday, March 17, 2010 2:42PM - 2:54PM		T23.00002: Improved Constraint-based GGA Functionals in Extended Systems and Molecules Sam Trickey, A. Vela, Juan Pacheco Kato Preview Abstract
Wednesday, March 17, 2010 2:54PM - 3:06PM		T23.00003: The role of vdW interactions for the cohesive properties of the coinage metals Lorenz Romaner, Matthias Scheffler, Claudia Ambrosch-Draxl Preview Abstract
Wednesday, March 17, 2010 3:06PM - 3:18PM		T23.00004: Efficient band gap estimation for solids from DFT Maria Chan, Gerbrand Ceder Preview Abstract
Wednesday, March 17, 2010 3:18PM - 3:30PM		T23.00005: A Scalable Implementation of Van der Waals Density Functionals Jun Wu, Francois Gygi Preview Abstract
Wednesday, March 17, 2010 3:30PM - 3:42PM		T23.00006: Total energy performance of non-Koopmans functionals Andrea Ferretti, Ismaila Dabo, Yanli Li, Matteo Cococcioni, Nicola Marzari Preview Abstract
Wednesday, March 17, 2010 3:42PM - 3:54PM		T23.00007: Universal extension to the Becke-Johnson exchange potential Esa Rasanen, Stefano Pittalis, Cesar Proetto Preview Abstract
Wednesday, March 17, 2010 3:54PM - 4:06PM		T23.00008: Self-interaction-free nonlocal correlation energy functional associated with a Jastrow function Naoto Umezawa, Brian Austin, William A. Lester, Jr Preview Abstract
Wednesday, March 17, 2010 4:06PM - 4:18PM		T23.00009: New expressions for the correlation energy functional within the GW-RPA approximation Sohrab Ismail-Beigi Preview Abstract
Wednesday, March 17, 2010 4:18PM - 4:30PM		T23.00010: Extended LDA+U+V approach for covalent systems Matteo Cococcioni, Vivaldo Leiria Campo Preview Abstract
Wednesday, March 17, 2010 4:30PM - 4:42PM		T23.00011: Locating Low-Energy Solutions within DFT+U Bryce Meredig, Alexander Thompson, Chris Wolverton Preview Abstract
Wednesday, March 17, 2010 4:42PM - 4:54PM		T23.00012: Defect levels of the O vacancy in ZnO in DFT, hybrid-DFT, and GW Stephan Lany, Alex Zunger Preview Abstract
Wednesday, March 17, 2010 4:54PM - 5:06PM		T23.00013: Periodic image errors in the electronic hyperpolarizabilities Y. Takimoto, M. Otani, O. Sugino Preview Abstract
Wednesday, March 17, 2010 5:06PM - 5:18PM		T23.00014: Hybrid Density Functional Calculations of Redox Potentials of Transition Metal Compounds Rickard Armiento, Vincent Chevrier, Shyue Ping Ong, Gerbrand Ceder Preview Abstract
Wednesday, March 17, 2010 5:18PM - 5:30PM		T23.00015: Water splitting for energy storage: first principles insights into the reaction mechanism of Ru-based homogeneous catalysts Simone Piccinin, Stefano Fabris Preview Abstract
Wednesday, March 17, 2010 5:30PM - 5:42PM		T23.00016: Continuum mechanics for quantum many-body systems Giovanni Vignale, Jianmin Tao, Xianlong Gao, Ilya Tokatly Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2010

Volume 55, Number 2

Monday–Friday, March 15–19, 2010; Portland, Oregon

Session Index

Session T23: Density Functional Theory II

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