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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

About the calculation of exchange coupling constants using density-functional theory: the role of the

Eliseo Ruiz1, Santiago Alvarez, Joan Cano

  • 1Departament de Química Inorgànica and Centre Especial de Recerca en Química Teòrica (CeRQT), Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain. eliseo.ruiz@qi.ub.es

The Journal of Chemical Physics
|November 5, 2005
PubMed

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