Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index

Marco Campetella (1, 2) , Anna Perfetto (1, 2) , Ilaria Ciofini (1, 2)

1 ENSCP - Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL
2 CNRS - Centre National de la Recherche Scientifique

Domaines: Chimie; Chimie théorique et/ou physique

Marco Campetella, Anna Perfetto, Ilaria Ciofini. Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index. Chemical Physics Letters, 2019, 714, pp.81-86. ⟨10.1016/j.cplett.2018.10.060⟩. ⟨hal-02236548⟩