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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of

Robert Zaleśny1, Guangjun Tian, Christof Hättig

  • 1Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wrocław University of Technology, Wyb. Wyspiańskiego 27, PL-50370, Wrocław, Poland; Division of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, SE-10691, Stockholm, Sweden.

Journal of Computational Chemistry
|April 2, 2015
PubMed

Keywords:
CC2 methoddensity functional theoryexcited statesrange-separated hybrid functionalstwo-photon absorptionvibronic coupling

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