Bulletin of the American Physical Society

2009 APS March Meeting

Volume 54, Number 1

Monday–Friday, March 16–20, 2009; Pittsburgh, Pennsylvania

Session Index

Session T36: Frontiers in Electronic Structure Theory	Show Abstracts
Sponsoring Units: DCP DCOMP Chair: Brian Landry, Harvard University Room: 408

Wednesday, March 18, 2009 2:30PM - 2:42PM		T36.00001: New approach on calculating Green's functions in Full-Potential Multiple Scattering Methods. Aurelian Rusanu, Yang Wang, G. M. Stocks, John S. Faulkner Preview Abstract
Wednesday, March 18, 2009 2:42PM - 2:54PM		T36.00002: Local excitations in charge-transfer insulators: a super atom approach via Wannier functions Chi-Cheng Lee, Weiguo Yin, Wei Ku Preview Abstract
Wednesday, March 18, 2009 2:54PM - 3:06PM		T36.00003: Self-healing diffusion quantum Monte Carlo algorithms: Theory and Applications F.A. Reboredo, P.R.C. Kent, M.L. Tiago, R.Q. Hood Preview Abstract
Wednesday, March 18, 2009 3:06PM - 3:18PM		T36.00004: Removal of residual nonspherical self-interaction error in LDA+$U$ Fei Zhou, Vidvuds Ozolins Preview Abstract
Wednesday, March 18, 2009 3:18PM - 3:30PM		T36.00005: The $f$-electron challenge: localized and itinerant states in lanthanide oxides united by $GW$@LDA+$U$ Matthias Scheffler, Hong Jiang, Ricardo I. Gomez-Abal, Patrick Rinke Preview Abstract
Wednesday, March 18, 2009 3:30PM - 3:42PM		T36.00006: Self-interaction correction in multiple scattering theory -- Application to transition metal oxide Markus Daene, Wolfram Hergert, Arthur Ernst, Martin Lueders, Zdzislawa Szotek, Walter Temmerman Preview Abstract
Wednesday, March 18, 2009 3:42PM - 3:54PM		T36.00007: Computational Modeling of Actinide Complexes Pertinent to Environment Krishnan Balasubramanian Preview Abstract
Wednesday, March 18, 2009 3:54PM - 4:06PM		T36.00008: The converse approach to NMR chemical shifts from first-principles: application to finite and infinite aromatic compounds T. Thonhauser, D. Ceresoli, N. Marzari Preview Abstract
Wednesday, March 18, 2009 4:06PM - 4:18PM		T36.00009: NMR chemical shifts from first-principles using the converse approach in periodic boundary conditions Davide Ceresoli, Timo Thonhauser, Nicola Marzari Preview Abstract
Wednesday, March 18, 2009 4:18PM - 4:30PM		T36.00010: MP2 and RPA applied to solid state systems Martijn Marsman, Andreas Grueneis, Judith Harl, Georg Kresse Preview Abstract
Wednesday, March 18, 2009 4:30PM - 4:42PM		T36.00011: Bridging the size gap between density-functional and many-body perturbation theory Paolo Umari Preview Abstract
Wednesday, March 18, 2009 4:42PM - 4:54PM		T36.00012: Quasiparticle properties of DNA bases from GW calculations in a Wannier basis Xiaofeng Qian, Nicola Marzari, Paolo Umari Preview Abstract
Wednesday, March 18, 2009 4:54PM - 5:06PM		T36.00013: Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Leeor Kronik, Tamar Stein, Roi Baer Preview Abstract
Wednesday, March 18, 2009 5:06PM - 5:18PM		T36.00014: Transcorrelated method applied to solids: numerical assessment of the SCF effect Keitaro Sodeyama, Rei Sakuma, Shinji Tsuneyuki Preview Abstract
Wednesday, March 18, 2009 5:18PM - 5:30PM		T36.00015: Unique assignment of energy to atoms in a solid Min Yu, Dallas R. Trinkle, Richard M. Martin Preview Abstract

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Bulletin of the American Physical Society

2009 APS March Meeting

Volume 54, Number 1

Monday–Friday, March 16–20, 2009; Pittsburgh, Pennsylvania

Session Index

Session T36: Frontiers in Electronic Structure Theory

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