Electronic Structure
ORAL · Q23 ·
Presentations
-
GW approximation of the many-body problem and changes in the particle number
ORAL
–
Authors
-
Fabien Bruneval
- CEA, DEN, Service de Recherches de Metallurgie Physique
-
-
Using Hartree-Fock pseudopotentials in GW calculations
ORAL
–
Authors
-
D.R. Hamann
- Department of Physics and Astronomy, Rutgers University
-
David Vanderbilt
- Rutgers University
- Department of Physics and Astronomy, Rutgers University
-
-
Quasiparticle properties of ZnO: Effects of semicore states and nonuniform convergence of the Coulomb hole self-energy
ORAL
–
Authors
-
Peihong Zhang
- Department of Physcis, University at Buffalo the State University of New York, Buffalo, New York 14260, USA
- Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260
- Department of Physics, University at Buffalo, State University of New York, Buffalo New York 14260, USA
- Physics Department, University at Buffalo
-
Bi-ching Shih
-
Yu Xue
-
-
Ab initio calculation of natural band offsets of all group IV, II-VI and III-V semiconductors
ORAL
–
Authors
-
Su-Huai Wei
- National Renewable Energy Laboratory
-
Aron Walsh
- National Renewable Energy Laboratory
-
Yong-Hua Li
- Fudan University
-
Xingao Gong
- Fudan University
-
-
Direct calculation of the one particle Green's function: an alternative to the self-energy
ORAL
–
Authors
-
Giovanna Lani
-
Pina Romaniello
- LSI, Ecole Polytechnique and ETSF
-
Lucia Reining
- Laboratoire des Solides Irradi\'es , Ecole Polytechnique, France and European Theoretical Spectroscopy Facility (ETSF)
-
-
GW method in the PAW formalism apply to ZnO and SnO
ORAL
–
Authors
-
Gabriel Antonius
- Deparement de Physique, Universite de Montreal
-
Martin Stankovski
- Unite Physico-Chimie et de Physique des Materiaux, Universite catholique de Louvain
-
Anna Miglio
- Unite Physico-Chimie et de Physique des Materiaux, Universite catholique de Louvain
-
Gian-Marco Rignanese
- Unite Physico-Chimie et de Physique des Materiaux, Universite catholique de Louvain
-
Michel C\^ot\'e
- Universite de Montreal
- Deparement de Physique, Universite de Montreal
- Departement de physique, Universite de Montreal
- Universite de Montreal et regroupement quebecois sur les materiaux de pointes (RQMP)
- University of Montreal
- D\'epartement de Physique and Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
-
-
Accelerating the Computation of Hartree-Fock Exchange using Recursive Bisection
ORAL
–
Authors
-
Ivan Duchemin
- University of California Davis
- Dept. of Applied Science, UC Davis
-
Francois Gygi
- Department of Applied Science and Department of Computer Science, University of California Davis
- University of California Davis
- Dept. Applied Science \& Dept. Computer Science, UC Davis
- UC Davis
- Dept. of Applied Science and Dept. of Computer Science, UC Davis
-
-
GW quasi-particle spectra without sums over empty states
ORAL
–
Authors
-
Paolo Umari
- CNR-INFM Democritos, Trieste, Italy
- Theory at Elettra Group, CNR-INFM Democritos, Basovizza (Trieste), Italy
-
Stefano Baroni
- SISSA \& CNR-INFM Democritos, Trieste, Italy
-
-
First principle modeling of magnetic structure in Fe-C and intermetalics
ORAL
–
Authors
-
Aurelian Rusanu
- Oak Ridge National Laboratory
- ORNL
-
Donald Nicholson
- ORNL
- Oak Ridge National Laboratory
-
Markus Eisenbach
- Oak Ridge National Laboratory
-
G.M. Stocks
- ORNL
- Oak Ridge National Laboratory
- Materials Science and Technology Division, ORNL, Oak Ridge, TN
- Materials Science and Technology Division, ORNL, Oak Ridge, TN 37831
-
-
Sum rule constraints on model dielectric functions
ORAL
–
Authors
-
Eric L. Shirley
- National Institute of Standards and Technology
- NIST
-
Keith Gilmore
- National Institute of Standards and Technology
- NIST
-
-
Obtaining core excitation spectra using ABINIT and NBSE
ORAL
–
Authors
-
John Vinson
- U. of Washington
-
Eric L. Shirley
- National Institute of Standards and Technology
- NIST
-
J. J. Rehr
- University of Washington
- U. of Washington
-
Joshua Kas
- U. of Washington
-
-
Electron Stopping Power Simulated by Time-dependent Density Functional Theory
ORAL
–
Authors
-
Jia-An Yan
- Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
-
Kalman Varga
- Vanderbilt University
- Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
- Vanderbilt University Department of Physics and Astronomy
-
Sokrates Pantelides
- Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
- Vanderbilt University, Oak Ridge National Laboratory
- Vanderbilt Univ.
- Department of Physics and Astronomy, Vanderbilt University
- Vanderbilt University
-
-
Screened Coulomb interactions between localized electrons in solids
ORAL
–
Authors
-
Bi-Ching Shih
- Department of Physcis, University at Buffalo the State University of New York, Buffalo, New York 14260, USA
-
Peihong Zhang
- Department of Physcis, University at Buffalo the State University of New York, Buffalo, New York 14260, USA
- Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260
- Department of Physics, University at Buffalo, State University of New York, Buffalo New York 14260, USA
- Physics Department, University at Buffalo
-
-
Half-Metallicity in Two-Dimensional Nickel Cyanide Molecular Layers
ORAL
–
Authors
-
Craig Higgins
- Texas State University
-
Gary Beall
- Texas State University
-
Byounghak Lee
- Texas State University-San Marcos
- Texas State University
-
-
Study of $Au/TiO_2$ interface structure using Energy Density Method
ORAL
–
Authors
-
Min Yu
- University of Illinois, Urbana-Champaign
-
Dallas R. Trinkle
- University of Illinois, Urbana-Champaign
-
Richard M. Martin
- University of Illinois, Urbana-Champaign
-