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

Kieron Burke; Jan Werschnik; E. K. U. Gross

doi:10.1063/1.1904586

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

Kieron Burke·Jan Werschnik·E. K. U. Gross

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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.

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Kieron Burke, Jan Werschnik, E. K. U. Gross. 2005-01-25. Time-dependent density functional theory: Past, present, and future. https://doi.org/10.1063/1.1904586

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