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

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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.
12 pages, 4 figures

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Other Condensed Matter, Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/25067

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0410362
 http://arxiv.org/abs/cond-mat/0410362
 J. Chem. Phys. 123, 062206 (2005)
 doi:10.1063/1.1904586

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arXiv