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time-dependent density functional theory

TD-DFT

Methods for computing accurate excitation energies at a low computational cost in large molecular species within the time-dependent scheme and the density functional theory. It is the only available DFT-based method for computing electronic excitation energies.
Source:
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 433
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2009-09-07; version: 2.1.5.
DOI of this term: doi:10.1351/goldbook.TT07484.
Original PDF version: http://www.iupac.org/goldbook/TT07484.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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