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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties

Musen Li1, Rika Kobayashi2, Roger D Amos2

  • 1International Centre for Quantum and Molecular Structures and Department of Physics, Shanghai University Shanghai 200444 China Jeffrey.Reimers@uts.edu.au.

Chemical Science
|February 28, 2022
PubMed

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