“…Usually, the analysis of excited states is done in terms of geometry modifications, molecular orbitals, dipole moments, and the electron density difference between the ground and the excited state of interest . Recently, the analysis of the topological properties of the electron density ( ) at different levels of theory such as CIS, CASSCF, CASPT2, and EOM‐CCSD has given insights about the electronic structure and properties of molecules in an excited state, in a similar fashion that for the ground state (GS) . Density functional theory (DFT) instead of its time‐dependent counterpart, TDDFT, has also been used to obtain electron densities for low‐lying singlet and triplet excited states of organometallic compounds .…”