Term: time-dependent density functional theory (TD-DFT)
https://doi.org/10.1351/goldbook.TT07484

Definition:
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 (https://doi.org/10.1351/pac200779030293)

Citation: 'time-dependent density functional theory (TD-DFT)' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.TT07484

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