On the multi-reference character of the low-lying states of the MnS−/0 clusters by the NEVPT2 assignment of the anion photoelectron spectrum

- DFT, NEVPT2 and RCCSD(T) geometry optimizations for MnS−/0 carried out.
- Ground states and spectroscopic relevant excited states determined.
- NEVPT2 detachment energies calculated.
- Assignment for anion photoelectron spectra proposed.
- Franck-Condon simulations given.