Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2004-10-14
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.
Burke Kieron
Gross Eberhard K. U.
Werschnik Jan
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