Time dependent Density-Functional Theory: Prospects and Applications

2nd International Workshop and School   

2006, August 27 - September 11

Workshop Program

Day I: Thursday 7th
09h00 - 09h10 Hardy Gross Opening remarks
09h10 - 10h00 Neepa Maitra Some challenges for time-dependent density functional approximations - and some partial solutions
10h00 - 10h50 N. Lathiotakis Reduced density matrix functionals for finite and periodic systems
10h50 - 11h20 Caffeine break
11h20 - 12h10 Mark Casida Two-electron excitations in TDDFT
12h10 - 13h00 Stephan Kummel Strong-field excitations and derivative discontinuities in TDDFT
13h00 - 15h00 Lunch break
15h00 - 15h50 E. J. Baerends Avoided crossings of excited state surfaces and vibronic coupling in TDDFT
15h50 - 16h40 Ivano Tavernelli Non-adiabatic TDDFT MD: from gas phase to complex environments
16h40 - 17h10 Beer break
17h10 - 18h00 Juerg Hutter TDDFT calculations with the Gaussian augmented-plane wave approach
18h00 - 18h50 Rodolfo del Sole Calculation of optical properties of complex systems within TDDFT
18h50 - 19h20 Dmitrij Rappoport Practical aspects of molecular TDDFT calculations

Day II: Friday 8th
09h10 - 10h00 Andreas Goerling Exact exchange spin current density functional methods
10h00 - 10h50 Myrta GrĂ¼ning The effect of nonlocality on the band gap within density functional theory
10h50 - 11h20 Caffeine break
11h20 - 12h10 Matteo Gatti Nonlocality and frequency dependence of effective potentials
12h10 - 13h00 Ludger Wirtz Electronic excitations in hexagonal layered systems (C and BN)
13h00 - 15h00 Lunch break
15h00 - 15h50 Massimiliano di Ventra Transport in nanoscale systems: new approaches to an old problem
15h50 - 16h40 Gianluca Stefanucci Time dependent transport phenomena within TDDFT
16h40 - 17h10 Beer break
17h10 - 18h00 Carsten Ullrich Time-dependent generating-coordinate method
18h00 - 20h00
Poster session, cheese and wine

Day III: Saturday 9th
09h10 - 10h00 Eckhard Pehlke Molecular dynamics simulations of non-adiabatic processes
10h00 - 10h50 Yoshi Miyamoto TDDFT-MD simulation of nano-carbons: decay dynamics of hot-carriers and electronic shakeup by high-speed ions/atoms
10h50 - 11h20 Caffeine break
11h20 - 12h10 Roi Baer Nonadiabatic functionals and their effects on electron dynamics in molecules and metal clusters
12h10 - 13h00 Silvana Botti How do rewritable DVDs work: optical properties of phase-change materials
13h00 - 15h00 Lunch break
15h00 - 15h50 Deborah Prezzi The role of excitons in the optical properties of carbon nanotubes
15h50 - 16h40 Marti Pi TDDFT description of electronic systems in semiconductor heterostructures
16h40 - 17h10 Beer break
17h10 - 18h30
Oral presentation of the best posters

Day IV: Sunday 10th
09h10 - 10h00 Stefano Baroni Turbocharging time-dependent density-functional theory with Lanczos chains
10h00 - 10h50 Esa Rasanen
Optimal laser control of quantum rings
10h50 - 11h20 Caffeine break
11h20 - 12h10 Patrick Rinke The band gap of InN and ScN: a quasiparticle energy study based on exact-exchange density-functional theory
12h10 - 13h00 C. Ambrosch-Draxl The role of core states on the excitation spectra of solids
13h00 - 13h20 Angel Rubio Closing remarks