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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations

Nathan E Schultz1, Yan Zhao, Donald G Truhlar

  • 1Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431.

Journal of Computational Chemistry
|June 15, 2007
PubMed

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