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the claim
Time-dependent density-functional theory is used to describe excited states
the verdict
SUPPORTED
the evidence backs this
refutedsupported
the weight of evidence
8 sources for · 0 against

Time-dependent density-functional theory (TDDFT) is widely used and validated in computational chemistry to model and describe electronic excited states.

Evidence for · 8
Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies
2016 · cited by 80
Paper 0 uses linear-response TDDFT to evaluate local hybrid functionals for calculating electronic excitation energies.
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The analysis

Numerous retrieved papers explicitly utilize time-dependent density-functional theory (TDDFT) to calculate, analyze, and describe electronic excitation energies, excited-state dynamics, and optical properties.

More for · 7
Estimation of physiologically perceived color from TDDFT‐derived excitation spectra
2004 · cited by 19
Paper 1 applies time-dependent density functional theory to calculate electronic excitation spectra for estimating perceived color.
Metal-ligand covalency of C-H activating iridium complexes from L-edge valence-to-core resonant inelastic X-ray scattering.
2026 · cited by 1
Paper 3 combines experiments with TDDFT calculations to investigate valence-excited state energetics in iridium complexes.
Visualizing and Characterizing Excited States from Time-Dependent Density Functional Theory
2023 · cited by 1
Paper 4 highlights TD-DFT as the most widely used electronic structure method for visualizing and analyzing excited states.
Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) method.
2026 · cited by 0
Paper 6 employs TDDFT to study molecular behavior and gradients in excited states.
Time-Resolved X-ray Photoelectron Spectroscopy: Probing Bond Order Rearrangements during Ultrafast Excited-State Intramolecular Proton Transfer.
2026 · cited by 0
Paper 7 uses linear-response TDDFT to compute time-resolved X-ray photoelectron spectroscopy during excited-state proton transfer.
Rigorous Excited-State Entropy in Finite-Temperature Time-Dependent Density Functional Theory.
2026 · cited by 0
Paper 10 utilizes finite-temperature TDDFT to describe excited states and calculate excited-state entropy.
Enhanced Quantum-Confined Stark Effect in Sc<sub>3</sub>N@<i>I</i><sub><i>h</i></sub>-C<sub>80</sub> Fullerene Dimers Via Intermolecular Coupling.
2026 · cited by 0
Paper 11 uses TDDFT calculations to investigate the excited-state response and properties of metallofullerene dimers.
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first checked04 Aug 2026
judged → SUPPORTED · 8704 Aug 2026
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