Benasque 2010: Time-Dependent Density-Functional Theory: Prospects and Applications

4th International Workshop and School

2010, January 2 - 15

Workshop Program

Day I: Monday 11th

Chairperson: Angel Rubio

08:30 - 09:20 Registration
09:20 - 09:30 A. Rubio Opening remarks
09:30 - 10:20 S. Kuemmel Excitations in finite systems: pragmatic improvements of DFT and fundamental questions in TDDFT
10:20 - 11:10 C. Cardoso Long-range correction effects on the evaluation of first hyperpolarizability of high intrinsic hyperpolarizability molecules
11:10 - 11:30 Caffeine break

Chairperson: Angel Rubio

11:30 - 12:20 C. Ullrich Time-dependent density-functional theory for weakly disordered systems: application to dilute magnetic semiconductors
12:20 - 13:10 O. Gritsenko Time-dependent density matrix functional theory: an interacting alternative to TDDFT
13:10 - 17:20 Discussion groups

Chairperson: Fernando Nogueira

17:20 - 18:10 M. Gatti Sodium under pressure: a charge-transfer insulator
18:10 - 19:00 S. Botti Electronic properties of materials for thin-film solar cells: Which ab-initio approaches can we trust?
19:00 - 19:20 Caffeine break

Chairperson: Fernando Nogueira

19:20 - 20:10 J. Dobson Applications of RPA, TDDFT and related response functions to correlation energies
20:10 - 21:00 E. Suraud TDDFT description of irradiation and the Self Interaction Problem

Day II: Tuesday 12th

08:30 - 17:00 Mini-workshops

Chairperson: Mark Casida

17:00 - 17:50 T. Seideman Why Time-Dependent Density Functional Theory?
17:50 - 18:40 N. Maitra Phase-Space Density Dynamics
18:40 - 19:00 Caffeine break

Chairperson: Mark Casida

19:00 - 19:50 R. Baer Pragmatic and Dogmatic Spirits in Time-Dependent Density Functional Theory
19:50 - 20:40 I. Tokatly Time-dependent deformation functional theory: From basic theorems to first applications

Day III: Wednesday 13th

Chairperson: Miguel Marques

08:30 - 09:20 M. Sprik Electronic energy levels in liquids and near liquid-solid interfaces: An electrochemical perspective
09:20 - 10:10 I. Tavernelli Non-adiabatic molecular dynamics with external fields
10:10 - 10:30 Caffeine break

Chairperson: Miguel Marques

10:30 - 11:20 H. Appel Stochastic Quantum Molecular Dynamics: a functional theory for electrons and nuclei dynamically coupled to an environment (with movies)
11:20 - 12:10 R. D'Agosta Stochastic time dependent (current) density functional theory: fundaments and applications
12:10 - 13:00 O. Sugino Non-adiabatic molecular simulations
13:00 - 17:00 Discussion groups
17:00 - 18:30 Poster session

Chairperson: John Dobson

18:30 - 19:20 M. Casida The Multifaceted Problem of Double- and Higher-Excitations in TDDFT
19:20 - 20:10 A. Goerling New Developments in Density-Functional Response Methods and new Correlation Functionals
20:10 - 21:00 T. Niehaus Inverse quantum confinement in luminescent Silicon quantum dots

Day IV: Thursday 14th

08:30 - 16:20 Mini-workshops

Chairperson: Carsten Ullrich

16:00 - 16:50 F. Martin Kinematically complete theoretical description of molecular ionization by synchrotron radiation and ultrashort pulses
16:50 - 17:40 C. Ambrosch-Draxl Q-dependent TDDFT spectra from metals
17:40 - 18:15 Caffeine break

Chairperson: Stephan Kuemmel

18:15 - 18:45 D. Strubbe Non-linear optics and local-field factors in liquid chloroform: A time-dependent density-functional theory study
18:45 - 19:15 G. AvendaƱo-Franco Time-Dependent Density Functional Theory study of transfer of charge by atomic impact, a case study with C4H20 + Au
19:15 - 20:05 P. Umari GW quasi-particle spectra from occupied states only
20:05 - 20:15 A. Rubio/F. Nogueira Closing remarks

Back to Home