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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond

R Svobodová Vareková1, J Koca

  • 1National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlárská 2, 611 37 Brno, Czech Republic.

Journal of Computational Chemistry
|December 29, 2005
PubMed

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