Dynamical Steps in the Time-Dependent Exchange-Correlation Potential

ORAL

Abstract

It was recently demonstrated that the exact correlation potential of time-dependent density functional theory (TDDFT) generically develops step and peak features that have a density-dependence that is non-local in space and time [arXiv:589981]. Usual adiabatic functional approximations fail to capture these steps, yet these same functionals work quite well for excitation spectra. We investigate the role of the steps in the linear response regime.

*NSF CHE-1152784 \& DOE DE-SC0008623.

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Authors

  • Kai Luo

    • Hunter College and CUNY Graduate Center

  • Neepa Maitra

    • Hunter College and CUNY Graduate Center
    • Hunter College and the Graduate Center of the City University of New York

  • Peter Elliott

    • Max-Planck Institute for Microstructure Physics

  • Johanna Fuks

    • Dpto. Fisica de Materiales, Universidad del Pais Vasco

  • Angel Rubio

    • Dpto. Fisica de Materiales, Universidad del Pais Vasco
    • Department of Materials Science, University of the Basque Country