Wednesday, March 15, 2006
11:15AM - 11:27AM
|
P27.00001: Analytic structure of Bloch functions for linear molecular chains
Emil Prodan
Preview Abstract |
Wednesday, March 15, 2006
11:27AM - 11:39AM
|
P27.00002: First-principles calculation of Hubbard parameter: Constrained local density functional approach with Maximally localized Wannier function
Kazuma Nakamura
, Ryotaro Arita
, Yoshihide Yoshimoto
, Shinji Tsuneyuki
Preview Abstract |
Wednesday, March 15, 2006
11:39AM - 11:51AM
|
P27.00003: Electronic structure of Cu$_{2-x}$S and related compounds
Pavel Lukashev
, Walter R. L. Lambrecht
, Takao Kotani
, Mark van Schilfgaarde
Preview Abstract |
Wednesday, March 15, 2006
11:51AM - 12:03PM
|
P27.00004: The Applicability of Different Quantum Mechanical Methods to Transition Metal Oxides
Orkid Coskuner
, Emily Jarvis
, Thomas Allison
, Carlos Gonzalez
, Anne Chaka
Preview Abstract |
Wednesday, March 15, 2006
12:03PM - 12:15PM
|
P27.00005: Zeroth-moment dielectric sum rule applied to electron damping
Eric L. Shirley
, J.A. Soininen
, J.J. Rehr
Preview Abstract |
Wednesday, March 15, 2006
12:15PM - 12:27PM
|
P27.00006: Relativistic real-space multiple scattering calculations of EELS
K. Jorissen
, J.J. Rehr
, A. Sorini
, Z.H. Levine
Preview Abstract |
Wednesday, March 15, 2006
12:27PM - 12:39PM
|
P27.00007: Prediction of Born-Oppenheimer Interatomic Forces Using Orbital-Free Density Functional Theory with Approximate Kinetic Energy Functionals
S.B. Trickey
, V.V. Karasiev
, Frank E. Harris
Preview Abstract |
Wednesday, March 15, 2006
12:39PM - 12:51PM
|
P27.00008: Fitting of Molecular Densities by Compact, Atom-Centered Expansion
V.V. Karasiev
, S.B. Trickey
, Frank E. Harris
Preview Abstract |
Wednesday, March 15, 2006
12:51PM - 1:03PM
|
P27.00009: Magnetic Field Effects upon Exchange-Correlation in the Hooke's Atom
Wuming Zhu
, Samuel Trickey
Preview Abstract |
Wednesday, March 15, 2006
1:03PM - 1:15PM
|
P27.00010: The problems in the density functional theory with the total spin and space symmetry and the invariant properties of the electron density.
I.G. Kaplan
Preview Abstract |
Wednesday, March 15, 2006
1:15PM - 1:27PM
|
P27.00011: Dehydrogenation in catalyst activated MgH$_{2}$
Sa Li
, Puru Jena
, Rajeev Ahuja
Preview Abstract |
Wednesday, March 15, 2006
1:27PM - 1:39PM
|
P27.00012: A method for biased surface electronic structure: a planewave non-repeated slab approach
Minoru Otani
, Osamu Sugino
Preview Abstract |
Wednesday, March 15, 2006
1:39PM - 1:51PM
|
P27.00013: Many-Body Electronic Structure of Curium metal
Antonina Toropova
, Kristjan Haule
, Gabriel Kotliar
Preview Abstract |