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Programme  


Monday, 12 September 2005
8.00Breakfast
9:00- 9:20Arno Schindlmayr (Forschungszentrum Jülich, Germany)
Welcome
Development of the GW approximation
9:20-9:40Carl-Olof Almbladh (Lunds Universitet, Sweden)
Lars Hedin and the GW approximation - the first 20 years
9:40-10:20Rodolfo Del Sole (Università di Roma "Tor Vergata", Italy)
Twenty years of GW in Rome
10:20-10:40Lucia Reining (Ecole Polytechnique, Palaiseau, France)
Theoretical spectroscopy: Some developments and applications based on GW
10:40-11:10Coffee break
Quasiparticle calculations for solids
11:10-11:50Patrick Rinke (Fritz-Haber-Institut, Berlin, Germany)
Excited states in semiconductors and insulators: Ab inito quasiparticle band structures of II-VI compounds, group-III nitrides and high-k dielectrics
11:50-12:10Hung Chung Hsueh (Tamkang University, Tamsui, Taiwan)
Quasiparticle excitations of native defects in III-V semiconductors: GW approximation
12:10-12:50Andrzej Fleszar (Universität Würzburg, Germany)
GW calculations for compounds with d and f electrons
12:50Lunch
Quasiparticle calculations for finite systems
14:20-15:00 Wolfgang Hübner (Technische Universität Kaiserslautern, Germany)
GW calculations on Na and Pt clusters
15:00-15:20Eleonora Luppi (Università di Modena e Reggio Emilia, Italy)
Emission properties of small hydrogenated and oxidised silicon nanoclusters
15:20-15:40Emanuela Pusceddu (Università degli Studi di Cagliari, Italy)
Quasiparticle energies and optical properties of small fullerenes
15:40-16:00Thomas Niehaus (Universität Paderborn, Germany)
Quasiparticle energies for large molecules: A tight-binding GW approach
16:00-16:30Coffee break
Poster session
16:30-18:30Poster session
The posters remain on display throughout the seminar
18:30 Dinner
Followed by a social evening at the invitation of the Wilhelm and Else Heraeus Foundation in the "Bürgerstube" at the Physikzentrum
Tuesday, 13 September 2005
8.00Breakfast
Many-body effects in spectroscopy
9:00- 9:40Hardy Gross (Freie Universität Berlin, Germany)
The fundamental gap in reduced-density-matrix-functional theory
9:40-10:00Lucia Caramella (Università degli Studi di Milano, Italy)
A Hilbert-transform-based scheme for efficient computation of response functions and its application to study the optical properties of the oxidised Si(100)-(2×2) surface
10:00-10:20Luis Ramos (Universität Jena, Germany)
Electronic and optical properties of Si and Ge nanocrystallites: Influence of oxidation, capping and doping
10:20-10:40Aleksi Soininen (University of Helsinki, Finland)
Quasiparticle effects in inelastic X-ray scattering
10:40-11:10Coffee break
Exciton dynamics
11:10-11:50Steven Louie (University of California at Berkeley, USA)
Ab initio study of the photo-excited state: Nanotubes to self-trapped excitons
11:50-12:10Mauro Bruno (Università di Roma "Tor Vergata", Italy)
Excitons in germanium nanowires: Quantum confinement, orientation and anisotropy effects
12:10-12:50Michael Rohlfing (International University Bremen, Germany)
Time dynamics of electron-hole excitations
12:50Lunch
Electronic properties of nanostructured materials
14:20-15:00Friedhelm Bechstedt (Universität Jena, Germany)
GW approximation for electronic excitations beyond standard treatment
15:00-15:20Christoph Friedrich (Forschungszentrum Jülich, Germany)
Converged all-electron GW approximation in the augmented-plane-wave basis-set limit
15:20-15:40Wojciech Welnic (Ecole Polytechnique, Palaiseau, France)
Local atomic order and optical properties in amorphous and laser-crystallised GeTe with ab initio methods
15:40-16:00Igor Campillo (Labein Centro Tecnológico, Derio, Spain)
Silicate chain formation in the nanostructure of cement-based materials
16:00-16:30Coffee break
NANOQUANTA general network meeting
16:30-18:30NANOQUANTA general network meeting
18:30Dinner
Wednesday, 14 September 2005
8.00Breakfast
Time-dependent density-functional theory
9:00- 9:40Angel Rubio (DIPC, San Sebastian, Spain)
A TDDFT-based formalism for the response of solids, nanostructures and biomolecules
9:40-10:00Daniele Varsano (DIPC, San Sebastian, Spain)
A TDDFT study of excited states of DNA bases and base assemblies
10:00-10:20Gianluca Stefanucci (Lunds Universitet, Sweden)
An ab initio theory of transport using TDDFT and nonequilibrium Green functions
10:20-10:40Viviana Garbuio (Università di Roma "Tor Vergata", Italy)
Ab initio study of the excited-state properties of liquid water
10:40-11:10Coffee break
Beyond the GW approximation (1)
11:10-11:50Rex Godby (University of York, United Kingdom)
GW and beyond
11:50-12:10Adrian Stan (Rijksuniversiteit Groningen, The Netherlands)
Fully self-consistent GW calculations for atoms and molecules
12:10-12:50Ulf von Barth (Lunds Universitet, Sweden)
Vertex corrections to the GW approximation
12:50Lunch
Beyond the GW approximation (2)
14:20-15:00Takao Kotani (Arizona State University, Tempe, USA
Quasiparticle self-consistent GW method
15:00-15:20Fabien Bruneval (Ecole Polytechnique, Palaiseau, France)
Electronic structure of Cu2O within self-consistent GW
15:20-16:00Ferdi Aryasetiawan (AIST, Tsukuba, Japan)
Merging first-principles and model approaches: GW+DMFT
16:00-16:30Coffee break
Many-body perturbation theory and metallic systems
16:30-17:10Luca Molinari (Università di Milano, Italy)
Hedin's equations and enumeration of Feynman diagrams
17:10-17:30Paul Ziesche (MPI für Physik komplexer Systeme, Dresden, Germany)
The high-density electron gas and the peculiarities of its reduced densities, its self-energy and the Hugenholtz-Van Hove identity
17:30-17:50Nicola Manini (Università degli Studi di Milano, Italy)
Many-body properties of a jellium slab
17:50-18:10Maia García-Vergniory (Euskal Herriko Unibertsitatea, Bilbao, Spain)
Lifetimes of Shockley electrons and holes at the Cu(111) surface
18:10-18:30Andrea Ferretti (Università di Modena e Reggio Emilia, Italy)
First-principles description of transport including electronic correlation
18:30Dinner
Thursday, 15 September 2005
8.00Breakfast
Electronic-structure methods for transition metals
9:00- 9:40Arthur Ernst (MPI für Mikrostrukturphysik, Halle, Germany)
GW approximation for correlated systems within the multiple-scattering method
9:40-10:00Uwe Birkenheuer (MPI für Physik komplexer Systeme, Dresden, Germany)
Wave-function based determination of the quasiparticle band structure of solids and polymers
10:00-10:20Chaitanya Das Pemmaraju (Trinity College, Dublin, Ireland)
Investigation using the pseudopotential SIC-LSDA into the role of n-type defects in DMS ZnO:Co
10:20-10:40Virginie Trinité (Ecole Polytechnique, Palaiseau, France)
Self-interaction-corrected (SIC) pseudopotential for Ti and TiO2
10:40-11:10Coffee break
Developments in density-functional theory
11:10-11:50Xavier Gonze (Université Catholique de Louvain, Belgium)
Orbital- and energy-dependent exchange-correlation functionals
11:50-12:10Nuno Carneiro (University of York, United Kingdom)
A novel generalised Kohn-Sham scheme
12:10-12:30Andrea Floris (Freie Universität Berlin, Germany)
Density-functional theory for superconductors: Applications to MgB2, Pb and solids under pressure
12:30-12:50Arno Schindlmayr (Forschungszentrum Jülich, Germany)
Farewell
12:50Lunch



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