Centro de Ciencias de Benasque Pedro Pascual

Centro de Ciencias de Benasque Pedro Pascual

Session image

5th Time-Dependent Density-Functional Theory: Prospects and Applications

2012, Jan 03 -- Jan 17

Organizers:
E. K. U. Gross (Freie U. Berlin)
M. A. L. Marques (U. Lyon I)
F. Nogueira (U. Coimbra and CFC)
A. Rubio (U. Pais Vasco)
A. Castro (U. Zaragoza)



Pictures

School Group Picture

School Group Picture

|

School Group Picture

School Group Picture

Energy densities in the Strong-Interaction limit of DFT

Energy densities in the Strong-Interaction limit of DFT

Multiple exciton generation in silicon nanocrystals

Multiple exciton generation in silicon nanocrystals

Towards describing interacting particle tunneling

Towards describing interacting particle tunneling

Dynamical effects in 2-particle spectra

Classical nuclear motion in time-dependent quantum transport

Classical nuclear motion in time-dependent quantum transport

Exact factorization of the time-dependent electron-nuclear wave-function: A mixed quantum-classical study

Exact factorization of the time-dependent electron-nuclear wave-function: A mixed quantum-classical study

Collision of cold atomic gases

Collision of cold atomic gases

Model system approach to the study of UV induced DNA-protein crosslink reactions

Model system approach to the study of UV induced DNA-protein crosslink reactions

Towards accurate electron-water binding energies

Excited electron bubble dynamics in superfluid helium: A TDDFT approach

Excited electron bubble dynamics in superfluid helium: A TDDFT approach

The application of time-dependent density-functional theory on the collective excitations of one-dimensional system

The application of time-dependent density-functional theory on the collective excitations of one-dimensional system

Dyes for fluorescence encoding: Lifetimes and quantum yields by a combined experimental and theoretical study

Dyes for fluorescence encoding: Lifetimes and quantum yields by a combined experimental and theoretical study

Photochemistry of MgO nanoparticles

Photochemistry of MgO nanoparticles

Derivative discontinuities, orbital energies and lifetimes in density functional resonance theory

TDDFT for the 3D Hubbard model in the linear and non-linear regime

TDDFT for the 3D Hubbard model in the linear and non-linear regime

Electronic structure of cytosine on Au (111)

Electronic structure of cytosine on Au (111)

A transition density matrix approach for the analysis of excited states in molecular aggregates

A transition density matrix approach for the analysis of excited states in molecular aggregates

Simulating the heat generation in nano-electronic device using Ehrenfest dynamics

Simulating the heat generation in nano-electronic device using Ehrenfest dynamics

Many-body effects on the absortion spectra for TiO2

Source of dephasing in 2D disordered systems at low temperatures

Source of dephasing in 2D disordered systems at low temperatures

DFT-based SFC: An efficient alternative for isomerization dynamics of absorbed molecular switches?

DFT-based SFC: An efficient alternative for isomerization dynamics of absorbed molecular switches?

Global fixed point proof for time-dependent density-functional theory

Global fixed point proof for time-dependent density-functional theory

Towards modeling exchange-correlation holes with explicity correlated wavefunctions

Towards modeling exchange-correlation holes with explicity correlated wavefunctions

Compressed sensing for electron dynamics: More efficient calculation of TDDFT absortion spectra

Efficient electronic structure methods applied to metal nanoparticles

Efficient electronic structure methods applied to metal nanoparticles

Time Dependent Density Functional Theory on a Lattice

Time Dependent Density Functional Theory on a Lattice

Optical propierties of Pentacene and Picene

Optical propierties of Pentacene and Picene




School Video

Wednesday, January 04

TDDFT 1 - E.K.U. Gross
TDDFT 2 - E.K.U. Gross
Introduction to Green's Function - S. Kurth
Many-Body: GW I - M. Gatti


Thursday, January 05

Overview of spectroscopies I - F. Lepine
Overview of spectroscopies II - F. Lepine
TDDFT 3 - E.K.U. Gross
Many-Body: GW II - M. Gatti


Friday, January 06

TDDFT 4 - E.K.U. Gross
The link between experiment and theory - S. Botti
Many-Body: BSE I - I. Tokatly


Saturday, January 07

Quantum transport - S. Kurth
TDDFT as a tool of Qhemistry II - I. Tavernelli


Monday, January 09

Advanced TDDFT I - N. Maitra
Models for time-dependent phenomena II - M. Lein
Advanced TDDFT II - N. Maitra
Current DFT-I - C. Ullrich


Tuesday, January 10

TDDFT as a tool of Qhemistry III - I. Tavernelli
Current DFT-II - C. Ullrich
Models for time-dependent phenomena III - M. Lein


Wednesday, January 11

TDDFT as a tool of Qhemistry IV - I. Tavernelli


Thursday, January 12

TDDFT vs. Many-Body II - R. van Leeuwen
Overview of spectroscopies IV - S. Huotari
Current DFT-II - C. Ullrich



Workshop Video


Friday, January 13

Optics of semiconductors from meta-GGA-based time-dependent density-functional theory
V. Nazarov



Saturday, January 14

How to get what you want from optimal control
C. Koch


Optimal control of many-electron systems and quantum revival
E. Rasanen


Show me the light: Optimal Control with Strong Lasers
D. Kammerlander


Attosecond time-resolved molecular dynamics
M. Vrakking


Multichannel Tunneling in Strong Field Ionization
O. Smirnova


Probing electron excitations with inelastic x-ray scattering spectroscopies
S. Huotari



Sunday, January 15

Ab initio colors (and a few thoughts on functionals for spectroscopy)
S. Baroni


Interaction effects in time-dependent quantum transport: TDDFT versus MBPT
G. Stefanucci


TDDFT for Electron-Phonon Dynamics with Applications to Quantum Dots
O. Prezhdo


Nonadiabatic molecular dynamics coupled to time dependent external potentials: towards TDDFT-based local control
I. Tavernelli


Progress at the interface of wave function and density functional theories
N. Gidopoulos


Beyond the Hubbard model: a realistic description of metal-insulator transitions in transition-metal oxides
M. Gatti


Plasmonics and non-local interactions from TDDFT: graphene and metal surfaces
T. Olsen


Exact factorization of the time-dependent electron-nuclear wave-function: A mixed quantum-classical studio
F. Agostini


Derivative Discontinuities, Orbital Energies and Lifetimes in Density Functional Resonance Theory
D. Whitenack



Monday, January 16

The interaction of ultrashort high-intensity x-ray pulses with dense atomic gases
N. Rohringer


Studies of dipole-forbidden electronic excitations
A. Sakko


This session has received financial support from the following institutions:

  • logo CSIC
  • Ministerio de educación y ciencia
  • Ayuntamiento de Benasque
  • Gobierno de Aragón
  • Universidad de Zaragoza

links

Our building

  • Future building