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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules

Adi Makmal1, Stephan Kümmel1, Leeor Kronik1

  • 1Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel, and Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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