Athaesos02: Workshop programme

Monday

FIRST MORNING SESSION: Total energies
(Chair: A. Schindlmayr)
9:00     Opening and announcements
9:20     R. W. Godby, P. García-González, K. T. Delaney, P. Rinke, and T. Gould:
            Total energies from self-energy operators (abstract)
9:55     N.-E. Dahlen and U. von Barth:
            Variational many-body functionals for the total energy of atoms (abstract)
10:15   B. Holm and U. von Barth:
            Pair correlation functions from GW calculations (abstract)

10:35   Coffee

SECOND MORNING SESSION: Total energies / Exchange and correlation
(Chair: A. Rubio)
11:00    X. Gonze, M. Fuchs, Y. M. Niquet, and K. Burke:
             Density functionals based on the adiabatic-connection fluctuation-dissipation theorem:
             Application to H2 and Be2 (abstract)
11:35    Y. M. Niquet, X. Gonze, and S. Fuch:
             Exchange-correlation potentials in the adiabatic-connection
             fluctuation-dissipation theorem (abstract)
11:55    A. Schindlmayr:
             Density-functional approach for the electronic self-energy (abstract)
12:15    P. Rinke, P. García-González, and R. W. Godby:
             Exchange and correlation effects in small jellium clusters (abstract)

12:35    Lunch

FIRST AFTERNOON SESSION: Excitations in strongly correlated systems
(Chair: C.-O. Almbladh )
14:30    M.-B. Lepetit:
             Ab initio calculation of local excited states in strongly correlated systems (abstract)
15:05    C. H. Patterson, G. Zhengg and M. Nicastro:
             Ab initio exchange coupling constant calculations for manganites and cuprates (abstract)
15:40    Discussions

16:00    Coffee

SECOND AFTERNOON SESSION: Posters
(Chair: A. Schindlmayr)
16:30    Short oral introductions
             (P. Baranek, F. Bruneval, K. Delaney, P. Eggert, G. Fratesi,
             S. Galamic-Mulaomerovic, T.J. Gould, K. Jorissen, J.P. Julien, M. Koudriachova,
             R. Magri, H. Mera, P. Palacios-Clemente, M. Palummo, T.T. Rantala,
             K.K. Saha, W.-D. Schöne, S. Simdyankin, F. Sottile, K. Tatarczyk)
17:00    Poster session (abstracts)

Tuesday

FIRST MORNING SESSION: Excitons
(Chair: M. Palummo)
9:00    Michel Mareschal (CECAM Director):
             Greetings
9:10    B. Arnaud, S. Lebegue, and M. Alouani:
             Electron-hole excitations in semiconductors and insulators (abstract)
9:45    M. Rohlfing, N.-P. Wang, P. Krüger, and J. Pollmann:
             Surface excitons at insulator surfaces (abstract)
10:05    F. Bechstedt:
             Excitons in confined systems: Surfaces and nanocrystals (abstract)

10:40    Coffee

SECOND MORNING SESSION: Excitons / Polarisation functions
(Chair: G. Onida )
11:00    A. Marini and R. del Sole:
             Dynamical excitons in metals and semiconductors (abstract)
11:20    E. Shirley:
             Aspects of polarizabilities in real materials: Models and symmetry properties (abstract)
11:55    S. Kurth and U. von Barth:
             Time-dependent optimized effective potential: An approach to the vertex (abstract)

12:30    Lunch

FIRST AFTERNOON SESSION: Exchange-correlation kernels
(Chair: O. Pulci)
14:30    V. Olevano, S. Botti, F. Sottile, N. Vast, L. Reining, A. Rubio and G. Onida:
             Long-range contribution to the exchange-correlation kernel in
             time-dependent density-functional theory (abstract)
14:50    R. Del Sole, G. Adragna, V. Olevano, and L. Reining:
             Long-range behaviour and frequency dependence of exchange-correlation

15:25 O. Pankratov, I. Tokatly, and R. Stubner:
             Many-body diagrammatic expansion for the exchange-correlation kernel in
             time-dependent density-functional theory (abstract)

16:00    Coffee

SECOND AFTERNOON SESSION: Transport and dynamics
(Chair: L. Reining)
16:30    B. Tobiyaszewska, U. von Barth, and C.-O. Almbladh:
             Current through finite 1D wires: Non-equilibrium Green's functions approach (abstract)
16:50    P. Bokes and R W. Godby:
             Self-consistent current-carrying steady states from a maximum-entropy principle (abstract)
17:10    Round-table discussion

Wednesday

FIRST MORNING SESSION: Core-level and defect spectra
(Chair: N. Vast)
9:00     C.-O. Almbladh and M. Birgersson:
             Effects of core-level degeneracy and crystal fields on core-level spectra (abstract)
9:35     S. de Gironcoli:
             Temperature effects on surface core-level shifts (abstract)
10:10    M. Hedström, A. Schindlmayr, and M. Scheffler:
             Quasiparticle band structure of the As vacancy on GaAs(110) (abstract)

10:35    Coffee

SECOND MORNING SESSION: Dielectric response
(Chair: P. García-González)
11:00    S. Botti, N. Vast, L. Reining, V. Olevano, and L. C. Andreoni:
             Ab initio calculation of the anisotropic dielectric tensor of GaAs/AlAs
             superlattices (abstract)
11:35    A. Marinopoulos, N. Vast, L. Reining, V. Olivano, and A. Rubio:
             Ab initio calculations of the dielectric response of graphite and
             small-diameter carbon nanotubes (abstract)
11:55    A. Mookerjee, K. K. Saha, and T. Saha-Dasgupta:
             Optical properties of disordered alloys (abstract)
12:15    Closing remarks

12:30    Lunch