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 A23: Density Functional Theory I	Show Abstracts
Sponsoring Units: DCOMP Chair: John Perdew, Tulane University Room: C125-C126

Monday, March 15, 2010 8:00AM - 8:12AM		A23.00001: Linear-Scaling Density-Functional Theory with Tens of Thousands of Atoms: Expanding the Scope and Scale of Calculations with ONETEP A.A. Mostofi, N.D.M. Hine, P.D. Haynes Preview Abstract
Monday, March 15, 2010 8:12AM - 8:24AM		A23.00002: Optimised local orbitals from linear-scaling density-functional theory calculations Peter Haynes, Laura Ratcliff, Gareth Conduit, Philip Avraam, Mark Robinson Preview Abstract
Monday, March 15, 2010 8:24AM - 8:36AM		A23.00003: Multidomain decomposition approach to large scale electronic structure calculations Kalman Varga Preview Abstract
Monday, March 15, 2010 8:36AM - 8:48AM		A23.00004: Acceleration of DFT calculations with dual parallel method Hidekazu Tomono, Masaru Aoki, Kazuo Tsumuraya Preview Abstract
Monday, March 15, 2010 8:48AM - 9:00AM		A23.00005: Bloch-state-based interpolation -- an efficient generalization of the Shirley approach to interpolating electronic structure David Prendergast, Steven G. Louie Preview Abstract
Monday, March 15, 2010 9:00AM - 9:12AM		A23.00006: All-electron Hybrid Functional Treatment of Oxides using the FLAPW Method Markus Betzinger, Martin Schlipf, Christoph Friedrich, Marjana Le\v{z}ai\'c, Stefan Bl\"ugel Preview Abstract
Monday, March 15, 2010 9:12AM - 9:24AM		A23.00007: Gaussian-type orbitals in \emph{ab-initio} calculations for periodic systems: Solving the so-called ``linear-dependence'' problem with efficient dual space summation Cristian Diaconu, Joachim Paier, Gustavo Scuseria Preview Abstract
Monday, March 15, 2010 9:24AM - 9:36AM		A23.00008: PAW Calculations for Core Edge Specroscopy Micah Prange, Weidong Luo, Sokrates Pantelides Preview Abstract
Monday, March 15, 2010 9:36AM - 9:48AM		A23.00009: Exact conditions and scaling relations in finite temperature density functional theory Stefano Pittalis, C. R. Proetto, A. Floris, A. Sanna, C. Bersier, E. K. U. Gross Preview Abstract
Monday, March 15, 2010 9:48AM - 10:00AM		A23.00010: DFPT approach to the temperature dependence of electronic band energies Paul Boulanger, Michel Cote, Xavier Gonze Preview Abstract
Monday, March 15, 2010 10:00AM - 10:12AM		A23.00011: Functional minimization scheme for first-principles electronic structure calculations with bi-orthogonal interpolating wavelets William Garber, Wei Ku, James Davenport, Dmitri Volja Preview Abstract
Monday, March 15, 2010 10:12AM - 10:24AM		A23.00012: Electron-pair-density based approach to density functional theory Markus Daene, Donald Nicholson Preview Abstract
Monday, March 15, 2010 10:24AM - 10:36AM		A23.00013: Towards the calculation of experimental spectra using linear-scaling density-functional theory Laura Ratcliff, Peter Haynes Preview Abstract
Monday, March 15, 2010 10:36AM - 10:48AM		A23.00014: Transferability of Fragments in Partition Density Functional Theory Yu Zhang, Adam Wasserman Preview Abstract
Monday, March 15, 2010 10:48AM - 11:00AM		A23.00015: Subsystem functional for confinement physics Feng Hao, Ann Mattsson, Rickard Armiento Preview Abstract

About APS

The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.

Headquarters 1 Physics Ellipse, College Park, MD 20740-3844 (301) 209-3200
Editorial Office 100 Motor Pkwy, Suite 110, Hauppauge, NY 11788 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700

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 A23: Density Functional Theory I

Follow Us

Engage

My APS

Information for

About APS