Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session Q13: Ground State Density Functional Theory: Applications	Show Abstracts
Sponsoring Units: DCOMP Chair: Kieron Burke, University of California, Irvine Room: Morial Convention Center 204

Wednesday, March 12, 2008 11:15AM - 11:27AM		Q13.00001: Polarizabilities and Hyperpolarizabilities of Hydrogen Chains: Is Self-Interaction Correction the Key? A. Ruzsinszky, J.P. Perdew, G.I. Csonka, G.E. Scuseria, O.A. Vydrov Preview Abstract
Wednesday, March 12, 2008 11:27AM - 11:39AM		Q13.00002: Improved Description of Stereoelectronic Effects Using Semi-local Density Functional Theory Gabor I. Csonka, John P. Perdew, Adrienn Ruzsinszky Preview Abstract
Wednesday, March 12, 2008 11:39AM - 11:51AM		Q13.00003: Approximations in local hybrid density functionals Benjamin Janesko, Gustavo Scuseria Preview Abstract
Wednesday, March 12, 2008 11:51AM - 12:03PM		Q13.00004: The role of middle-range Hartree-Fock-type exchange in hybrid functionals Thomas Henderson, Artur Izmaylov, Gustavo Scuseria, Andreas Savin Preview Abstract
Wednesday, March 12, 2008 12:03PM - 12:15PM		Q13.00005: Molecular Crystals, a test system for weak bonding. Bernard Delley, Teodora Todorova Preview Abstract
Wednesday, March 12, 2008 12:15PM - 12:27PM		Q13.00006: Surface Stress and Energy of Metal Nanoclusters Igor Vasiliev, Bharat Medasani, Young Ho Park Preview Abstract
Wednesday, March 12, 2008 12:27PM - 12:39PM		Q13.00007: Applying Density Functional Theory for Atomic Vacancies in Solids Xiaolan Zhou, John P. Perdew Preview Abstract
Wednesday, March 12, 2008 12:39PM - 12:51PM		Q13.00008: Generalized LDA$+$U$+$V functional in DFT calculations for covalent systems Vivaldo Campo, Matteo Cococcioni Preview Abstract
Wednesday, March 12, 2008 12:51PM - 1:03PM		Q13.00009: Comparative Study of the Performance of DFT B3PW91 for the Prediction of Electronic Properties of Molecules Jasma Batham, Pedro Derosa Preview Abstract
Wednesday, March 12, 2008 1:03PM - 1:15PM		Q13.00010: Relativistic Density Functional Theory Calculations of the Electron Paramagnetic Resonance Parameters for Vanadyl Acetyl Acetonate and Copper Acetyl Acetonate Laxman Mainali, Indra Sahu, Keith Earle Preview Abstract
Wednesday, March 12, 2008 1:15PM - 1:27PM		Q13.00011: ABSTRACT WITHDRAWN Preview Abstract
Wednesday, March 12, 2008 1:27PM - 1:39PM		Q13.00012: Functional minimization scheme for first-principles electronic structure calculations with bi-orthogonal interpolating wavelets William Garber, Dmitri Volja, Wei Ku Preview Abstract
Wednesday, March 12, 2008 1:39PM - 1:51PM		Q13.00013: An implementation of LDA+DMFT within the PAW framework: Application to SrVO3. Bernard Amadon, Frank Lechermann, Antoine Georges Preview Abstract

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Bulletin of the American Physical Society

2008 APS March Meeting

Volume 53, Number 2

Monday–Friday, March 10–14, 2008; New Orleans, Louisiana

Session Index

Session Q13: Ground State Density Functional Theory: Applications

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