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Chemical Society Reviews· 2012Q1· Review

The calculations of excited-state properties with Time-Dependent Density Functional Theory

Carlo Adamo, Denis Jacquemin

Short summary

Time-Dependent Density Functional Theory (TD-DFT) is now a widely adopted computational method for calculating molecular properties related to optical spectra, such as absorption and emission.

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Field: Physical and Theoretical Chemistry

Physical and Theoretical ChemistryChemistry