articleThe Journal of Chemical PhysicsAug 8, 2005GREEN OA

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

Rutgers, The State University of New Jersey · Freie Universität Berlin

PubMed
Indexed inarxivcrossrefpubmed

Abstract

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.

Citation impact

952
total citations
FWCI
26.96
Percentile
100%
References
133
Citations per year

Authors

3

Topics & keywords

Keywords
  • Time-dependent density functional theory
  • Popularity
  • Density functional theory
  • Scope (computer science)
  • Excited state
  • Computer science
  • Data science
  • Physics
UN Sustainable Development Goals
  • Affordable and clean energy
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