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 |
