Reference vertical excitation energies for transition metal compounds
D Jacquemin, F Kossoski, F Gam… - Journal of Chemical …, 2023 - ACS Publications
To enrich and enhance the diversity of the quest database of highly accurate excitation
energies [Véril, M.; et al. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2021, 11, e1517], we …
energies [Véril, M.; et al. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2021, 11, e1517], we …
Approximate Functionals for Multistate Density Functional Theory
A Humeniuk - Journal of Chemical Theory and Computation, 2024 - ACS Publications
Recently Lu and Gao [J. Phys. Chem. Lett. 2022, 13 (33), 7762–7769] published a new,
rigorous density functional theory for excited states and proved that the projection of the …
rigorous density functional theory for excited states and proved that the projection of the …