Time-Dependent Density-Functional Theory: Prospects and Applications

3rd International Workshop and School   

2008, August 31 - September 15

Workshop Program

Day I: Thursday 11th

Chairperson: Angel Rubio

09h00 - 09h10

E.K.U. Gross / Angel Rubio

Opening remarks 

09h10 - 10h00

Kieron Burke

Semiclassical origins of density functional theory

10h00 - 10h50

Roi Baer

Dogmatic and Pragmatic Spirits in Time-Dependent Density Functional Theory

10h50 - 11h20

Caffeine break


Chairperson: Neepa Maitra

11h20 - 12h10

Marc Casida

TDDFT pushing the limits of and going beyond the adiabatic approximation

12h10 - 13h00

Stephan Kuemmel

Memory effects in real time: Probing the adiabatic approximation in TDDFT

13h00 - 15h00

Lunch break


Chairperson: E.K.U. Gross

15h00 - 15h50

Andreas Goerling

TDDFT with frequency-dependent exchange-correlation kernels

15h50 - 16h40

Kerstin Hummer

Absorption spectra from TDDFT: do hybrid functionals account for excitonic effects?

16h40 - 17h10

Beer break


Chairperson: Carsten Ullrich

17h10 - 18h00

John Rehr

Real-time Approaches for Optical and X-ray Spectra

18h00 - 18h50

Xavier Andrade

From TDDFT to Molecular Dynamics

Day II: Friday 12th

Chairperson: Rex Godby

09h00 - 09h50

Sohrab Ismail-Beigi

Optical properties of GaN nanotubes from many-body GW-BSE perturbation theory

09h50 - 10h40

Yasutami Takada

The electron self-energy in the Green's-function approach: Beyond the GW approximation

10h40 - 11h10

Caffeine break


Chairperson: Robert van Leeuwen

11h10 - 12h00

R.W. Godby

Exchange and correlation in quantum transport

12h00 - 12h50

Massimiliano di Ventra Stochastic TDCDFT: a functional theory of open quantum systems

13h00 - 15h00

Lunch break


Chairperson: Kieron Burke

15h00 - 15h50

Robert van Leeuwen

Time-Dependence and Interactions in Quantum Transport

15h50 - 16h40

Risto Nieminen

Applications of TDDFT to clusters and nanostructures

16h40 - 17h10

Beer break


Chairperson: Ivano Tavernelli

17h10 - 18h00

Claudia Filippi

Autofluorescent proteins: Are first-principle calculations predictive?

18h00 - 18h50

N. Maitra

TDDFT phase-space explorations

20h00   Invited Speakers Dinner

Day III: Saturday 13th

Chairperson: Fernando Nogueira

09h00 - 09h50

Nikos Doltsinis

Nonadiabatic Car-Parrinello MD

09h50 - 10h40

Osamu Sugino

Nonadiabatic dynamics by TDDFT

10h40 - 11h10

Caffeine break


Chairperson: Osamu Sugino

11h10 - 12h00

Ivano Tavernelli

Non-adiabatic mixed quantum-classical dynamics using TDDFT

12h00 - 12h50

Kazuhiro Yabana

Dynamics in dielectrics induced by ultrashort laser pulses

13h00 - 15h00

Lunch break


Chairperson: Massimiliano di Ventra

15h00 - 15h50

Troy Van Voorhis

Electron Transfer and Electron Transport: Fighting Self-Interaction in TDDFT

15h50 - 16h40

Daniele Varsano

Optical Saturation driven by Exciton Confinement in Molecular Chains

16h40 - 17h10

Beer break


17h10 - 18h00

Silvana Botti

Photoelectronic properties of chalcopyrites for photovoltaic conversion: self-consistent GW calculations

18h00 - 20h00


Poster Session: abstracts, Meta van Faassen, Klaas Giesbertz, Olli Lehtonen, Petri Myöhänen, Stefania D'Agostino, Diemo Ködderitzsch, Davide Sangalli, Ester Livshits, Thomas Koerzdoerfer, Jussi Ojanen, Dirk Hofmann, Huub Van Dam I II, Lauri Lehtovaara, Arjan Berger, Keisuke Hatada, André Schleife,

Day IV: Sunday 14th

Chairperson: Miguel Marques

09h00 - 09h20

Contributed talk

Winner of the school poster session

09h20 - 09h40

P. Myöhänen Quantum transport studies in Kadanoff-Baym approach - Winner of the school poster session

09h40 - 10h30

P. Romaniello

Double excitations in finite systems

10h30 - 11h00

Caffeine break


11h00 - 11h50

Claudio Verdozzi

TDDFT and Strongly Correlated Systems: Insight From Numerical Studies

11h50 - 12h00

E.K.U. Gross

Closing remarks