Exploring non-covalent interactions in excited states: beyond aromatic excimer models.

Time-dependent density functional theory (TD-DFT) offers a relatively accurate and inexpensive approach for excited state calculations. However, conventional TD-DFT may suffer from the same poor description of non-covalent interactions (NCIs) which is known from ground-state DFT. In this work we present a comprehensive benchmark study of TD-DFT for excited-state NCIs.