Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals.
Éric BrémondAlistar OttochianÁngel J. Pérez-JiménezIlaria CiofiniGiovanni ScalmaniMichael J. FrischJuan Carlos Sancho-GarcíaCarlo AdamoPublished in: J. Comput. Chem. (2021)