CECAM Workshop on
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Each speaker has been allocated 40 minutes. The talk should last
for no more than 30 (ideally 25) minutes, allowing 10-15
minutes to be devoted to questions and discussion (which may include
brief viewgraphs from members of the audience).
Monday 8 September | ||
| 09:30 | Announcements | |
| 09:40 | J.V. Ortiz | The Electron Propagator Approach to Quantum Chemistry and the Theory of Chemical Bonding |
| 10:20 | Antonio Sgamellotti | Green's function calculations on doubly ionized molecular states and the simulation of Auger spectra |
| 11:00 | Coffee | |
| 11:30 | Peter Bobbert | GW-quasiparticle energies in conjugated polymers; a pilot study |
| 12:10 | Richard Needs | Calculations of excitation energies using quantum Monte Carlo methods |
| 12:50 | Lunch | |
| 15:00 | Lars Hedin | The transition from the adiabatic to the sudden limit in core electron photoemission |
| 15:40 | E.K.U. Gross | Excited states and time-dependent phenomena in density functional theory |
| 16:20 | Coffee | |
| 16:50 | Barry Pickup | The perturbed electron propagator |
| 17:30 | Jaap G. Snijders | Dynamic response properties of molecules through Time Dependent Density Functional Theory |
| 18:10 | Michael Deleuze | On the adequacy of the one-particle picture of ionization for polymers |
| 18:50 | End | |
Tuesday 9 September | ||
| 09:00 | Eric Shirley | Modeling Core-Hole Effects in X-ray Absorption and Resonant Fluorescence |
| 09:40 | Alok Shukla | Obtaining Wannier Functions of a Crystalline Insulator within a Hartree-Fock approach |
| 10:20 | Rex Godby | Space-Time Method for Ab Initio Self-Energy Calculations |
| 11:00 | Coffee | |
| 11:30 | Ulf von Barth | New variational expressions for the total energy and response functions of electronic systems |
| 12:10 | Carl-Olof Almbladh | Improved local-field corrections to the G0W approximation: Importance of consistency relations |
| 12:50 | Lunch | |
| 15:00 | Friedhelm Bechstedt | Ab initio calculations of optical properties including many-body effects |
| 15:40 | Lucia Reining | Ab initio calculation of excitons |
| 16:20 | Coffee | |
| 16:50 | Peter Fulde | Energy-band calculations for semiconductors by quantum-chemical methods |
| 17:30 | Discussion 1 | |
| 18:10 | End | |
| 20:00 | Conference dinner in central Lyon | |
Wednesday 10 September | ||
| 09:00 | Steven G. Louie | Quasiparticle and Optical Excitations in Small Silicon Clusters |
| 09:40 | Giovanni Onida | Electronic structure and optical properties of GaAs(110) calculated within GW |
| 10:20 | Discussion 2 | |
| 11:00 | Coffee | |
| 11:30 | Olle Gunnarsson | Model Hamiltonian and electronic properties of A3C60 (A= K,Rb) |
| 12:10 | Robert Moccia | To be announced |
| 12:50 | Lunch | |
| 14:30 | Angel Rubio | Core polarization in the optical response of metal clusters: generalized time-dependent density-functional-theory |
| 15:10 | Francesco Mauri | Excitonic self-trapping in diamond |
| 15:50 | Coffee | |
| 16:10 | Rodolfo Del Sole | Electronic structure calculations beyond the LDA: cohesive energies of silicon and diamond |
| 16:50 | Discussion 3 | |
| 17:30 | End | |
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