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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra

Sebastian M Thielen1, Manuel Hodecker1, Julia Piazolo1

  • 1Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, D-69120 Heidelberg, Germany.

The Journal of Chemical Physics
|April 23, 2021
PubMed

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