Focus Session: DFT VII: Time-Dependent Processes I: Driven Systems

Presentations

• Towards the ab-initio description of photo-induced processes

  COFFEE_KLATCH · Invited

  March 1, 2012, 8:00 AM – March 1, 2012, 8:36 AM

  Authors

  • E.K.U. Gross

    • MPI Halle, Germany
    • Max-Planck-Institute, Weinberg 2, Halle (Saale), Germany
    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany
    • Max Planck Institute of Microstructure Physics
    • Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany
    • Max Planck Institute of Microstructure Physics, Weinberg 2, D - 06120 Halle, Germany

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• Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface

  ORAL

  March 1, 2012, 8:36 AM – March 1, 2012, 8:48 AM

  Authors

  • Ali Abedi

    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • Federica Agostini

    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • Neepa T. Maitra

    • Hunter College, CUNY
    • Hunter College of the City University of New York
    • Hunter College, City University of New York
    • Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA

  • E.K.U. Gross

    • MPI Halle, Germany
    • Max-Planck-Institute, Weinberg 2, Halle (Saale), Germany
    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany
    • Max Planck Institute of Microstructure Physics
    • Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany
    • Max Planck Institute of Microstructure Physics, Weinberg 2, D - 06120 Halle, Germany

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• Exact factorization of the full electron-nuclear wavefunction: A quantum-classical study

  ORAL

  March 1, 2012, 8:48 AM – March 1, 2012, 9:00 AM

  Authors

  • Federica Agostini

    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • Ali Abedi

    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • E.K.U. Gross

    • MPI Halle, Germany
    • Max-Planck-Institute, Weinberg 2, Halle (Saale), Germany
    • Max-Planck-Institut f\"ur Mikrostrukturphysik
    • Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany
    • Max Planck Institute of Microstructure Physics
    • Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany
    • Max Planck Institute of Microstructure Physics, Weinberg 2, D - 06120 Halle, Germany

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• Time-dependent density functional theory for open quantum systems

  ORAL

  March 1, 2012, 9:00 AM – March 1, 2012, 9:12 AM

  Authors

  • David Tempel

    • Harvard University

  • Al\'an Aspuru-Guzik

    • Harvard University
    • Department of Chemistry and Chemical Biology, Harvard University
    • Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, USA

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• Time-Dependent Electron Localization Functions, TDELF's, for Molecular Ionization and Harmonic Generation in Intense Laser Pulses

  ORAL

  March 1, 2012, 9:12 AM – March 1, 2012, 9:24 AM

  Authors

  • Andre D. Bandrauk

    • Universite de Sherbrooke

  • Emmanuel Fowe Penka

    • Universite de Sherbrooke

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• TDDFT for nonlinear phenomena of light-matter interactions

  COFFEE_KLATCH · Invited

  March 1, 2012, 9:24 AM – March 1, 2012, 10:00 AM

  Authors

  • Angel Rubio

    • Nano-Bio Spectroscopy Group, Departamento de F\'isica de Materiales, Universidad del Pa\'is Vasco, San Sebasti\'an, Spain
    • Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain
    • NanoBio Spectroscopy Group and ETSF Scientific Development Centre, Faculty of Chemistry University of the Basque Count

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• Performance of the exact adiabatic density functional to describe Rabi physics

  ORAL

  March 1, 2012, 10:00 AM – March 1, 2012, 10:12 AM

  Authors

  • Johanna Ildemar Fuks

    • Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain

  • Nicole Helbig

    • Forschungszentrum J\"ulich D-52425 J\"ulich Germany

  • Heiko Appel

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

  • Ilya Tokatly

    • Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain

  • Angel Rubio

    • Nano-Bio Spectroscopy Group, Departamento de F\'isica de Materiales, Universidad del Pa\'is Vasco, San Sebasti\'an, Spain
    • Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain
    • NanoBio Spectroscopy Group and ETSF Scientific Development Centre, Faculty of Chemistry University of the Basque Count

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• Curing pathologies of TDDFT with semiclassical electron correlation

  ORAL

  March 1, 2012, 10:12 AM – March 1, 2012, 10:24 AM

  Authors

  • Peter Elliott

    • Hunter College, City University of New York
    • Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA

  • Neepa T. Maitra

    • Hunter College, CUNY
    • Hunter College of the City University of New York
    • Hunter College, City University of New York
    • Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA

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• Quantum dynamics integrators in a plane-wave implementation of time-dependent density functional theory

  ORAL

  March 1, 2012, 10:24 AM – March 1, 2012, 10:36 AM

  Authors

  • Andr{\'e} Schleife

    • Lawrence Livermore National Laboratory

  • Alfredo Correa

    • Lawrence Livermore National Laboratory

  • Yosuke Kanai

    • University of North Carolina at Chapel Hill
    • The University of North Carolina at Chapel Hill

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• The effect of cusps in time-dependent quantum mechanics

  ORAL

  March 1, 2012, 10:36 AM – March 1, 2012, 10:48 AM

  Authors

  • Zenghui Yang

    • University of Missouri
    • University of Missouri - Columbia

  • Neepa T. Maitra

    • Hunter College, CUNY
    • Hunter College of the City University of New York
    • Hunter College, City University of New York
    • Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA

  • Kieron Burke

    • Departments of physics and chemistry, University of California, Irvine
    • University of California, Irvine
    • Department of Chemistry, University of California, 1102 Natural Sciences 2, Irvine, California 92697-2025, USA
    • Departments of Physics and Chemistry, University of California, Irvine

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• Demonstration of the Gunnarsson-Lundqvist theorem and Lack of Hohenberg-Kohn Theorem for Excited States

  ORAL

  March 1, 2012, 10:48 AM – March 1, 2012, 11:00 AM

  Authors

  • Xiao-Yin Pan

    • Ningbo University

  • Yu-Qi Li

    • Ningbo University

  • Biao Li

    • Ningbo University

  • Viraht Sahni

    • Brooklyn College CUNY

  View abstract →