Chapter

Electron Correlations and Materials Properties 2

pp 285-298

What is Time-Dependent Density Functional Theory? Successes and Challenges

  • Neepa T. MaitraAffiliated withDepartments of Chemistry and Physics, Rutgers University
  • , Adam WassermanAffiliated withDepartments of Chemistry and Physics, Rutgers University
  • , Kieron BurkeAffiliated withDepartments of Chemistry and Physics, Rutgers University

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Abstract

We discuss ongoing projects in ground-state density functional theory (DFT) before introducing some basic concepts in time-dependent DFT (TDDFT). The accuracy of simple approximations to transition frequencies and oscillator strengths is analyzed, developing scattering theory within TDDFT is discussed, and the importance of memory in fully time-dependent calculations is emphasized.