CECAM Workshop:

Excited states and electronic spectra

Lyon, France, 20 - 22  july 2000



CECAM, Ecole Normale Superieure de Lyon, 46 Allee d'Italie

F-69364 Lyon CEDEX 07 - FRANCE




PROGRAMME

Speakers have been generally allocated 35  or  20 minutes. The talk should last for 25 / 15 minutes  respectively, allowing the rest of the time to be devoted to questions and discussion (which may include brief viewgraphs from members of the audience). 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.
 
 
 
 

Thursday 20 July

09:00 Welcome and Announcements
Chairperson: C.O. Almbladh
09:10 Introduction (U. von Barth)
09:20 W.C. Mackrodt A simple direct approach to the calculation of the excited states of NiO based on HF and DF theory
09:55 M.D. Kuzmin Quasi-Particle Band Structure and Dielectric Eigenpotentials of Diamond
10:30 A.  Schindlmayr Decay properties of the one-particle Green function in real space and imaginary time
10:55 Coffee Break
11:20 P.G. Gonzalez Accuracy of many body perturbation theory for calculating ground state properties
11:45 P. Friera Total energy calculations from self-energy models
12:10 B. Holm Total energy from the Galitskii-Migdal formula using realistic spectral functions
12:30 Lunch
Chairperson: A. Rubio
14:20
14:30 F. Bechstedt Calculation of optical properties for systems with large supercells
15:05 G.M. Rignanese Quasiparticle band structure of C2H4 adsorbed on the Si(001)-2x1 surface within the GW approximation
15:25 J.M. Pacheco Magnetic LEGO structures
15:45 Coffee Break

 
16:10 J.M. Pitarke Electron and hole dynamics in simple and noble metals
16:45 W. Eckardt The lifetime of hot electrons inm metals determined by timeresolved two-photon- photoemission(TR2PPE}: The role of transport-effects, d-band catastrophy, and transient excitons.
17:20 Break
17:35 ROUND TABLE 1 (Coordinator: Rex Godby)

Friday 21 July

09:00 Introduction (C.O. Almbladh)
Chairperson: O.Gunnarson
09:10 A. Eguiluz Calculations of electronic excitations in metals within TDDFT: Do we know how to handle correlation yet?
09:45 J.F. Dobson STLS approach for inhomogeneous systems
10:20 Coffee Break

 
10:45 T. Kreibich Multicomponent Density-Functional Theory for Molecules in Strong Laser Pulses
11:20 V. Olevano Excitonic effects in EELS spectra of semiconductors
11:55 M. Rohlfing Structural relaxation in excited states
12:30 Lunch
Chairperson: G. Onida
14:30 A. Eguiluz The Baym-Kadanoff method and its all-electron implementation for semiconductors: What does it take to do a good calculation of the band gap?
14:50 5' introductions to posters, part 1 
15:25 Coffee Break
15:40 5' introductions to posters, part 2 
16:15  ROUND TABLE 2 (Coordinator: L. Reining)
17:15 - 19:15  POSTER SESSION  
20:00 SOCIAL DINNER

 
 
 

Saturday 22 July

Chairperson: J. Dobson
09:00
09:10 O. Gunnarson Core-level line shapes of cuprates: Effects of valence and of Cu-O network
09:45 A. Marini Plane-waves DFT-LDA calculation of the electronic structure and absorption spectrum of Cu
10:05 Coffee Break
10:30 E. Molinari Linear and non linear optical properties of semiconductor quantum wires and dots 
11:05 A. Ruini Optical Properties of Semiconducting Conjugated Polymers: a First-Principles Study
11:25 C. Delerue Excitonic and quasiparticle gaps in Si nanocrystals
12:00  Concluding Remarks (Rex Godby)
13:00 End of the Cecam Workshop
15:00 Internal  Meeting of the NANOPHASE groups
18:00 End 

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