1999 Workshop on

Calculation of Electronic Excitations in Finite and Infinite Systems

CECAM , Lyon, France
Wednesday 1 - Friday 3 September 1999


PROGRAMME

Invited speakers have been generally allocated 45 minutes. The talk should last for 30 minutes , allowing the rest of the time to be devoted to questions and discussion (which may include brief viewgraphs from members of the audience). Speakers with 20 minutes slots should speak for no more than 15 minutes. Other slots, allocated to those who made special requests, always imply that at least 25% of the time will be devoted to questions and discussion.
 
 
 

Wednesday 1 September

09:00 Welcome and Announcements
Chairperson: L. Hedin
09:15 Rex Godby  Introductory talk on the GW method + Developments and applications of the GW space-time method
10:00 Andrzej Fleszar Electronic structure of II-VI semiconductors: HF, LDA, EXX and GW calculations 
10:45 Patrick Rinke Image Effects in Small Quantum Dots 
10:55 Coffee Break
Chairperson: R.W. Godby 
11:20 Carl-Olof Almbladh  Vertex Corrections beyond GWA in polarons models 
12:05 NANOPHASE presentations  (brief presentation of each group's activities by the NANOPHASE group leaders: Godby(York)-Reining(Paris)-Almbladh(Lund)-Rubio(Valladolid)-DelSole(Rome)-Bechstedt(Jena)-Schindlmayr(Berlin) 
13:05 Lunch
Chairperson: S. Louie 
14:30 Pablo Garcia-Gonzalez Many body GW calculation of the total energy of electron systems 
14:50 Paula Friera Improved Exchange and Correlation Energy Functionals 
15:05 Walter Eckardt Calculated lifetimes of hot electrons in aluminum and the nobel metals using a plane wave basis set 
15:50 Coffee Break
Chairperson: A. Rubio 
16:15 Friedhelm Bechstedt Optical properties of large systems: Towards a many-body description 
16:50 Ulf von Barth to be announced 
17:35 Lars Hedin On correlation effects in x-ray absorption spectroscopy 
18:20 Poster presentations

Thursday 2 September

Chairperson: R. Del Sole 
09:15 Lucia Reining Introduction on the calculation of excitonic effects 
09:30 Steven G. Louie Ab Initio Optical Properties from the Bethe-Salpeter Equation: Atoms to Solids 
10:15 Eric Shirley Optical properties: treating metals, strain, and non-zero q 
11:00 Coffee Break
Chairperson: F. Bechstedt 
11:30 Michael Rohlfing Excitons and Optical Spectrum of the Si(111)-(2x1) Surface 
12:15 Peter Bobbert Electro-optical excitations in conjugated polymers 
13:00 Lunch

 
Chairperson: E.K.U. Gross 
14:30 George F. Bertsch Application of real-time TDLDA to optical response 
15:15 James R. Chelikowsky Predicting Excited State Properties in Clusters Using the Time Dependent Local Density Approximation in Real Space 
16:00 Coffee Break
Chairperson: E. Shirley 
16:30 Xavier Gonze Potential energy surfaces for excited states from Time-Dependent Density-Functional Theory 
16:50 Pietro Ballone Simple approximations and computer experiments to evaluate electron excitation energies 
17:35 ROUND TABLE:  Round Table on TDDFT versus Green's Function methods (Coordinator: R. Resta) 
18:35 End
20:00 Social Dinner

Friday 3 September

Chairperson: W. Eckardt 
09:00 Xavier Gonze Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Funct ional Theory 
09:45 Stan van Gisbergen Analysis of linear term in xc potential of finite systems 
10:30 Coffee Break
Chairperson: U. von Barth 
11:00 Raffaele Resta Does the many-body Green's function provide the many-body Berry phase? 
11:45 Hardy Gross Dichroism in the frequency-dependent response of superconductors 
12:30 Jorge Pacheco Structural effects in the calculation of Electronic excitations in simple metal clusters 
13:15 Lunch
14:00
14:45 ROUND TABLE:  Continuation of the Round Table (Coordinator: R. Resta) 
15:45 CONCLUDING REMARKS 
16:00 Coffee Break
16:15 Meeting of the NANOPHASE groups (to discuss future activities etc)
18:00 End
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