Focus Session: DFT VIII: Time-Dependent Processes II: Excitations

Presentations

• Watching excitons move: the time-dependent transition density matrix

  COFFEE_KLATCH · Invited

  March 1, 2012, 11:15 AM – March 1, 2012, 11:51 AM

  Authors

  • Carsten Ullrich

    • University of Missouri

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• A minimal TDDFT model for excitons

  ORAL

  March 1, 2012, 11:51 AM – March 1, 2012, 12:03 PM

  Authors

  • Yonghui Li

    • University of Missouri

  • Zenghui Yang

    • University of Missouri
    • University of Missouri - Columbia

  • Carsten Ullrich

    • University of Missouri

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• Nonlinear ultrafast optical response in organic molecular crystals

  ORAL

  March 1, 2012, 12:03 PM – March 1, 2012, 12:15 PM

  Authors

  • Talat S. Rahman

    • Physics Department and NSTC, University of Central Florida
    • Physics Department, University of Central Florida
    • Department of Physics and NSTC, University of Central Florida, Orlando, Fl 32816

  • Volodymyr Turkowski

    • Physics Department and NSTC, University of Central Florida

  • Michael N. Leuenberger

    • Physics Department and NSTC, University of Central Florida

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• Electronic and dielectric properties of organic photovoltaic compounds from first principles

  ORAL

  March 1, 2012, 12:15 PM – March 1, 2012, 12:27 PM

  Authors

  • Ismaila Dabo

    • CERMICS, Universite Paris-Est

  • Andrea Ferretti

    • Istituto Nanoscienze, CNR

  • Cheol-Hwan Park

    • Department of Materials, Oxford University

  • Nicolas Poilvert

    • Rowland Institute, Harvard University

  • Matteo Cococcioni

    • CEMS, University of Minnesota

  • Nicola Marzari

    • Department of Materials, Oxford University

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• Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density functional theory

  ORAL

  March 1, 2012, 12:27 PM – March 1, 2012, 12:39 PM

  Authors

  • Maria Hellgren

    • Max-Planck-Institute, Weinberg 2, Halle(Saale), 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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• Density Functional Resonance Theory: The Complex Density Function, Orbital Energies and Lifetimes, and Results for Simple Systems

  ORAL

  March 1, 2012, 12:39 PM – March 1, 2012, 12:51 PM

  Authors

  • Daniel Whitenack

    • Purdue University Department of Physics
    • Purdue University

  • Adam Wasserman

    • Purdue University Department of Chemistry and Department of Physics
    • Purdue University
    • Department of Chemistry, Purdue University
    • Purdue Universtiy

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• Meta-GGA-based adiabatic time-dependent density-functional theory

  ORAL

  March 1, 2012, 12:51 PM – March 1, 2012, 1:03 PM

  Authors

  • Vladimir Nazarov

    • Research Center for Applied Sciences, Academia Sinica

  • Giovanni Vignale

    • University of Missouri-Columbia
    • University of Missouri, Columbia
    • Department of Physics, University of Missouri-Columbia

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• Describing electronic excitations using electron-hole density functional theory (eh-DFT)

  ORAL

  March 1, 2012, 1:03 PM – March 1, 2012, 1:15 PM

  Authors

  • Arindam Chakraborty

    • Syracuse University

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• Applying state-of-the-art signal processing to time-dependent density functional theory

  ORAL

  March 1, 2012, 1:15 PM – March 1, 2012, 1:27 PM

  Authors

  • Jacob Sanders

    • Harvard University Department of Chemistry and Chemical Biology

  • Xavier Andrade

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

  • Alan Aspuru-Guzik

    • Harvard University
    • Harvard University Department of Chemistry and Chemical Biology

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• Density Functional Theory Investigation of Tunable Surface Composition of CdS Quantum Dots

  ORAL

  March 1, 2012, 1:27 PM – March 1, 2012, 1:39 PM

  Authors

  • Oleg Prezhdo

    • University of Rochester
    • Department of Chemistry, University of Rochester, NY 14627

  • Amanda Neukirch

    • University of Rochester

  • Jeremy Young

    • University of Rochester

  • Helen Wei

    • University of Rochester

  • Christopher Evens

    • University of Rochester

  • Todd Krauss

    • University of Rochester

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• First-Principles Approach to Chemical Raman Enhancement of Organic Adsorbates on Metal Surfaces

  ORAL

  March 1, 2012, 1:39 PM – March 1, 2012, 1:51 PM

  Authors

  • Alexey Zayak

    • Molecular Foundry, LBNL

  • Hyuck Choo

    • California Institute of Technology

  • Ying S. Hu

    • Rice University

  • Daniel Gargas

    • Molecular Foundry, LBNL

  • Stefano Cabrini

    • Molecular Foundry, LBNL

  • Jeffrey Bokor

    • Molecular Foundry, LBNL

  • P. James Schuck

    • Molecular Foundry, LBNL

  • Jeffrey B. Neaton

    • Molecular Foundry, LBNL

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• Electron-Hole Pairs during Adsorption Dynamics of O$_2$ on Pd(100) -- Exciting or not?

  ORAL

  March 1, 2012, 1:51 PM – March 1, 2012, 2:03 PM

  Authors

  • Joerg Meyer

    • TU Muenchen

  • Karsten Reuter

    • TU Muenchen

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• Self-consistent GW calculations with basis of dominant products

  ORAL

  March 1, 2012, 2:03 PM – March 1, 2012, 2:15 PM

  Authors

  • Peter Koval

    • Centro de Fisica de Materiales

  • Dietrich Foerster

    • University of Bordeaux 1

  • Daniel Sanchez Portal

    • CFM-CSIC, San Sebastian, Spain
    • Centro de Fisica de Materiales

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