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