Time-dependent density functional theory: past, present, and future.

By Kieron Burke, J. Werschnik, Eberhard K. U. Gross. Journal of Chemical Physics, 2004

843 citations recorded by the source corpus.

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.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/e8d11424a0652bebab8437e257f2a7d56fe28f08

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In Atomic and Molecular Physics, and Optics

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Citations in the corpus

Future of nuclear fission theory (2020, background): “First, a disclaimer is in order, because in the rigorous (electronic) time-dependent DFT (TDDFT), see, e.g. Burke et al (2005), the term ‘adiabatic’ has a different meaning than here.”
Density functional theory: Its origins, rise to prominence, and future (2015, background): “…based on the theorem of Runge and Gross (1984), has proved to be valuable in predicting the excited states and optical properties in molecules (Burke, Werschnik, and Gross, 2005; Marques et al., 2006; Botti et al., 2007; Isegawa, Peverati, and Truhlar, 2012) and has become an option in most…”
Classical dynamical density functional theory: from fundamentals to applications (2020, neutral): “[614–622].”