Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals

von Brémond, Éric
Veröffentlicht in: Journal of computational chemistry (2021)

A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates Merocyanine dyes as a case study

von Tirri, Bernardino
Veröffentlicht in: Journal of computational chemistry (2021)

Double hybrids and time-dependent density functional theory An implementation and benchmark on charge transfer excited states

von Ottochian, Alistar
Veröffentlicht in: Journal of computational chemistry (2020)