Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules

Full Citation

A. Sarkar and L. Gagliardi, Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules, J. Phys. Chem. A, 2023, 127, 9389–9397. DOI: 10.1021/acs.jpca.3c05803