The lowest quartet electronic states of MnC

The lowest-lying quartet electronic states of MnC, correlating with the three lowest-lying atomic dissociation channels, were investigated theoretically for the first time, with the state-of-the-art multireference configuration interaction (MRCI) approach, based on complete-active-space self-consistent-field (CASSCF) wave functions and extensive basis sets. Excitation energies, equilibrium internuclear distances, dissociation energies, and spectroscopic constants for eleven electronic states will be reported. Franck–Condon factors, Einstein coefficients, and radiative lifetimes for the first excited state will also be presented.