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    Time-dependent density-functional theory for ultrafast interband excitations

    Turkowski, V.
    Ullrich, Carsten A.
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    [PDF] TimeDependentDensityFunctionalTheoryUltrafast.pdf (219.6Kb)
    Date
    2008
    Format
    Article
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    Abstract
    We formulate a time-dependent density-functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density-matrix components, which is equivalent to the time-dependent Kohn-Sham equation, is derived. From this, we obtain a TDDFT version of the semiconductor Bloch equations, where the electronic many-body effects are taken into account, in principle, exactly. As an example, we study the optical response of a three-dimensional two-band insulator to an external short-time pulsed laser field. We show that the optical absorption spectrum acquires excitonic features when the exchange-correlation potential contains a 1∕q2 Coulomb singularity. A qualitative comparison of the TDDFT optical absorption spectra with the corresponding results obtained within the Hartree-Fock approximation is made.
    URI
    http://hdl.handle.net/10355/7597
    Citation
    Phys. Rev. B 77, 075204 (2008)
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    • Physics and Astronomy publications (MU)

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