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

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

2004-10-14

arxiv.org/abs/cond-mat/0410362v2

J. Chem. Phys. 123, 062206 (2005)

Physics

Condensed Matter

Other Condensed Matter

12 pages, 4 figures

Scientific paper

10.1063/1.1904586

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.

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