International Journal of Quantum Chemistry· 2013Q3· Review
TD-DFT benchmarks: A review
- 1,386citations
- Q3SCImago
- 2013year
Short summary
This review synthesizes a decade of Time-Dependent Density Functional Theory (TD-DFT) benchmarks, evaluating exchange-correlation functionals for simulating molecular optical properties.
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Physical and Theoretical ChemistryChemistry