Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K’s Multifaceted Approach - Hanasaki, Kota; de Jong, Tjeerd Futaii; Komarov, Konstantin; Kumar, Ravi; Mališ, Momir; Mattiat, Johann; Hernandez-Segura, Luis Ignacio; Schreder, Lukas; Sinyavskiy, Andrey; Luber, Sandra (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2025)
Keywords: A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters