Workshop on Excited State Properties and Response Functions for Materials Program

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November 13-14, 2000

Sponsored by:
Department of Energy
University of Minnesota Supercomputing Institute for
Digital Simulation and Advanced Computation

The Sunday night registration reception will be at the Holiday Inn Metrodome, 1500 Washington Avenue South, Minneapolis. The conference sessions, including breaks and lunches, will be held at the Supercomputing Institute for Digital Simulation and Advanced Computation, 1200 Washington Avenue South, Minneapolis.


Sunday, November 12, 2000

6:00-8:00 p.m.

Reception at the Holiday Inn Metrodome


Monday, November 13, 2000

8:15 a.m.

Welcome by Jim Chelikowsky (University of Minnesota) and Manfred Leiser (Department of Energy)

Session A

Fundamental Theory

8:30-9:20 a.m.

Lars Hedin (Lund University)
A model based on the GW theory and its use beyond quasi-particle energies

9:20-10:00 a.m.

Steven G. Louie (University of California at Berkeley)
Electron-hole Interaction and Optical Excitations

10:00-10:30 a.m.


Session B

Experimental Processes and Applications

10:30-11:20 a.m.

Franz Himpsel (University of Wisconsin)
Exotic excited states in low-dimensional systems and in nanostructures

11:20-12:00 p.m.

John Rehr (University of Washington)

12:00-1:00 p.m.


Session C

Electronic Excitations and Time Dependent Phenomena

1:00-1:50 p m.

Lucia Reining (Ecole Polytechnique, Palaiseau)
The calculation of electronic excitations: some recent developments

1:50-2:20 p.m.

Jim Chelikowsky (University of Minnesota)
Functional Theory for Confined Systems

2:20-2:50 p.m.

Sokrates Pantelides (Vanderbilt University)
Core Excitation Spectra

2:50-3:20 p.m.


Session D

Experimental Processes and Electron Correlation

3:20-3:50 p.m.

Lorin Benedict (Lawrence Livermore National Laboratory)
Properties of Marerials in Extreme Conditions

3:50-4:20 p.m.

Eric Shirley (National Institute for Standards and Technology)

4:20-5:00 p.m.

General Discussion and Planning


Tuesday, November 14, 2000

Planning and Progress Reports

8:30-8:45 a.m.

John Wilkins (The Ohio State University)
GW and III-V Offsets

8:45-9:00 a.m.

Andrew Canning (Lawrence Berkeley Laboratory, NERSC)
NERSC Update and recent activities

9:00-9:15 a.m.

George Bertsch (University of Washington)
Comparison of TDDFT Methods

9:15-9:30 a.m.

Serdar Ogut (University of Minnesota)
Ab initio calculations for the dielectric matrix

9:30-9:45 a.m.

Sohrab Ismail-Beigi (University of California at Berkeley)
Gauge-invariant coupling of non-local potentials to electromagnetic fields

9:45-10:00 a.m.

Mei-Yin Chou (Georgia Tech)
Quasi-particle Calculations for Metal Hydrides

10:00-10:30 a.m.


10:30-10:45 a.m.

Igor Vasiliev (University of Illinois)
TDLDA in nanoclusters

10:45-11:00 a.m.

Kevin Leung (Sandia National Laboratory)
GW Calculations on Simple Models

11:00-11:15 a.m.

Michel Van Hove (Lawrence Berkeley Laboratory)
Full-potential and core-hole effects in photoelectron diffraction

11:15-11:30 a.m.

Warren Pickett (University of California at Davis)
Crystal Field Excitations from LDA+U Total Energy Differences

11:30-11:45 a.m.

John Shumway (NREL)
QMC Calculations of Exciton systems

11:45-12:00 a.m.

Wai-Yim Ching (University of Missouri at Kansas City)
Inclusion of the Core-Hole Interaction in the XANES/ELNES Spectra of Oxides and Nitrides

12:00-1:00 p.m.


1:00-3:00 p.m.

Discussion and Planning: Reports of teams, organizing meeting for the next year, and other issues

End of Formal Meeting

3:30-5:00 p.m.

Executive Session


Supercomputing Institute: 1200 Washington Avenue South
Minneapolis, MN 55415
(612) 625-1818

Holiday Inn Metrodome:

1500 Washington Avenue South
Minneapolis, MN 55454
(800) 448-3663 reservations
(612) 338-4049 fax