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Updated: Mar 29, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?

Marco Caricato1, Gary W Trucks1, Michael J Frisch1

  • 1Gaussian, Inc., 340 Quinnipiac St., Bldg. 40, Wallingford, Connecticut 06492, United States, and Department of Chemistry, Yale University, 225 Prospect St., New Haven, Connecticut 06511, United States.

Journal of Chemical Theory and Computation
|November 25, 2015
PubMed

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