Centro de Ciencias de Benasque Pedro Pascual

Centro de Ciencias de Benasque Pedro Pascual

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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)

Wednesday, January 04
  • 09:20h
  • Opening remarks
     
  • 09:30h
  • TDDFT I
     E. K. U. Gross
  • 10:30h
  • TDDFT II
     E. K. U. Gross
  • 11:30h
  • Introduction to Green's functions
     S. Kurth
  • 12:30h
  • Many-Body: GW I
     M. Gatti
  • 15:30h
  • Introduction to the practical classes and codes
     
  • Introduction to Octopus
     D. Strubbe
      Introduction to Yambo
     D. Sangalli
      Introduction to coding exercises
     Alberto Castro
      Basic TDDFT code 0
     

    Thursday, January 05
    • 09:30h
    • Overview of spectroscopies I
       F. Lepine
    • 10:30h
    • Overview of spectroscopies II
       F. Lepine
    • 11:30h
    • TDDFT III
       E. K. U. Gross
    • 12:30h
    • Many-Body: GW II
       M. Gatti
    • 15:30h
    • Basic TDDFT code I
       

      Friday, January 06
      • 16:00h
      • TDDFT IV
         E. K. U. Gross
      • 17:00h
      • The link between experiment and theory
         S. Botti
      • 18:00h
      • Many-Body: BSE I
         I. Tokatly
      • 19:00h
      • Many-Body: BSE II
         I. Tokatly

        Saturday, January 07
        • 09:30h
        • TDDFT as a tool in chemistry I
           I. Tavernelli
        • 10:30h
        • Models for time-dependent phenomena I
           M. Lein
        • 11:30h
        • Quantum transport
           S. Kurth
        • 12:30h
        • TDDFT as a tool in chemistry II
           I. Tavernelli
        • 15:30h
        • Basic TDDFT code II
           

          Sunday, January 08
          • 16:30h
          • Basic TDDFT code III
             

            Monday, January 09
            • 09:30h
            • Advanced TDDFT I
               N. Maitra
            • 10:30h
            • Models for time-dependent phenomena II
               M. Lein
            • 11:30h
            • Advanced TDDFT II
               N. Maitra
            • 12:30h
            • Current DFT I
               C. Ullrich
            • 15:30h
            • OCTOPUS I
               
            • 18:30h
            • POSTER session
               

              Tuesday, January 10
              • 09:30h
              • TDDFT as a tool in chemistry III
                 I. Tavernelli
              • 10:30h
              • Non-linear material response properties with TDDFT
                 D. Strubbe
              • 11:30h
              • Current DFT II
                 C. Ullrich
              • 12:30h
              • Models for time-dependent phenomena III
                 M. Lein
              • 15:30h
              • OCTOPUS II
                 

                Wednesday, January 11
                • 09:30h
                • TDDFT vs. Many-Body I
                   R. van Leeuwen
                • 10:30h
                • TDDFT as a tool in chemistry IV
                   I. Tavernelli
                • 11:30h
                • Overview of spectroscopies III
                   S. Huotari
                • 12:30h
                • Advanced TDDFT III
                   N. Maitra
                • 15:30h
                • YAMBO I
                   
                • 18:30h
                • POSTER session
                   

                  Thursday, January 12
                  • 09:30h
                  • TDDFT vs. Many-Body II
                     R. van Leeuwen
                  • 10:30h
                  • Models for time-dependent phenomena IV
                     M. Lein
                  • 11:30h
                  • Overview of spectroscopies IV
                     S. Huotari
                  • 12:30h
                  • Current DFT III
                     C. Ullrich
                  • 15:30h
                  • YAMBO II
                     
                  • 18:30h
                  • Final remarks / Talks on popular science
                     

                    Friday, January 13
                    • Chairperson: Carsten Ullrich
                       
                    • 09:20h
                    • Opening Remarks
                       Angel Rubio
                    • 09:30h
                    • Time-dependent current density functional theory: Rigorous lattice formulation
                       Ilya Tokatly
                    • 10:10h
                    • Semiclassical Correlation in Density-Matrix Propagation
                       Neepa Maitra
                    • 10:50h
                    • Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
                       Ali Abedi

                    • Chairperson: Ilya Tokatly
                       
                    • 12:00h
                    • (TD)DFT: fundamentals and a new functional
                       Michael Ruggenthaler
                    • 12:40h
                    • Accurate density-functional methods based on correlation energy functionals within the exact-exchange random phase approximation
                       Andreas Görling
                    • 13:20h
                    • Optics of semiconductors from meta-GGA-based time-dependent density-functional theory
                       Vladimir Nazarov

                    • Chairperson: Hardy Gross
                       
                    • 16:00h
                    • The derivative discontinuity in transport
                       Stefan Kurth
                    • 16:40h
                    • Electron-ion entanglement and decoherence dynamics in trans-polyacetylene oligomers
                       Heiko Appel
                    • 17:50h
                    • Intersubband spin plasmons in quantum wells: spin-orbit coupling and many-body effects
                       Carsten Ullrich
                    • 18:30h
                    • Excitation gaps of finite-sized systems from Optimally-Tuned Range-Separated Hybrid Functionals
                       Leeor Kronik

                      Saturday, January 14
                      • Chairperson: Alberto Castro
                         
                      • 16:00h
                      • How to get what you want from optimal control
                         Christiane Koch
                      • 16:40h
                      • Optimal control of many-electron systems and quantum revival
                         Esa Räsänen
                      • 17:20h
                      • Show me the light: Optimal Control with Strong Lasers
                         David Kammerlander

                      • Chairperson: Angel Rubio
                         
                      • 18:30h
                      • Attosecond time-resolved molecular dynamics
                         Mark Vrakking
                      • 19:10h
                      • Multichannel Tunneling in Strong Field Ionization
                         Olga Smirnova
                      • 19:50h
                      • Probing electron excitations with inelastic x-ray scattering spectroscopies
                         Simo Huotari

                        Sunday, January 15

                        • Chairperson: Robert van Leeuwen
                           
                        • 09:30h
                        • Ab initio colors (and a few thoughts on functionals for spectroscopy)
                           Stefano Baroni
                        • 10:10h
                        • Interaction effects in time-dependent quantum transport: TDDFT versus MBPT
                           Gianluca Stefanucci
                        • 10:50h
                        • TDDFT for Electron-Phonon Dynamics with Applications to Quantum Dots
                           Oleg Prezhdo

                        • Chairperson: Fernando Nogueira
                           
                        • 12:00h
                        • Nonadiabatic molecular dynamics coupled to time dependent external potentials: towards TDDFT-based local control
                           Ivano Tavernelli
                        • 12:40h
                        • Progress at the interface of wave function and density functional theories
                           Nikitas Gidopoulos

                        • Chairperson: Stefan Kurth
                           
                        • 15:30h
                        • Towards inclusion of dissipation in TDDFT
                           Eric Suraud
                        • 16:10h
                        • Beyond the Hubbard model: a realistic description of metal-insulator transitions in transition-metal oxides
                           Matteo Gatti
                        • 16:50h
                        • Plasmonics and non-local interactions from TDDFT: graphene and metal surfaces
                           T. Olsen
                        • 17:50h
                        • Photoinduced charge separation in light-harvesting supramolecular systems
                           Carlo A. Rozzi
                        • 18:30h
                        • Exact factorization of the time-dependent electron-nuclear wave-function: A mixed quantum-classical studio
                           Federica Agostini (poster prize award)
                        • 18:50h
                        • Derivative Discontinuities, Orbital Energies and Lifetimes in Density Functional Resonance Theory
                           Daniel L. Whitenack (poster prize award)

                          Monday, January 16

                          • Chairperson: Neepa Maitra
                             
                          • 09:00h
                          • The interaction of ultrashort high-intensity x-ray pulses with dense atomic gases
                             Nina Rohringer
                          • 09:40h
                          • Studies of dipole-forbidden electronic excitations
                             Arto Sakko
                          • 10:50h
                          • Bootstrap approximation for exchange-correlation kernel of TD-DFT
                             Sangeeta Sharma
                          • 11:30h
                          • Role of discontinuities in linear response TDDFT
                             Maria Hellgren
                          • 12:10h
                          • Final Remarks
                             

                            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

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