Time-dependent density functional theory: Past, present, and future

DOI PDF 被引用文献16件
  • Kieron Burke
    Rutgers University Department of Chemistry and Chemical Biology, , Piscataway, New Jersey 08854
  • Jan Werschnik
    Freie Universität Berlin Institut für Theoretische Physik, , Arnimallee 14, 14195 Berlin, Germany
  • E. K. U. Gross
    Freie Universität Berlin Institut für Theoretische Physik, , Arnimallee 14, 14195 Berlin, Germany

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<jats:p>Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope, and yields predictions for many more properties. We discuss some of the challenges involved in making accurate predictions for these properties.</jats:p>

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