title: Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory.
abstract: We study the low-lying excited states of the zinc porphyrin molecule in aqueous solution using long-range corrected TDDFT. We report results using the CAM-B3LYP and CAM-PBE0 functionals and compare them with previously reported excited states based on high-level coupled cluster (CC) methods. The aqueous environment is treated via a QM/MM approach.
authors.forename: Niranjan
authors.initials: N
authors.lastname: Govind
authors.forename: Marat
authors.initials: M
authors.lastname: Valiev
authors.forename: Lasse
authors.initials: L
authors.lastname: Jensen
authors.forename: Karol
authors.initials: K
authors.lastname: Kowalski