The electronic states of carbon monofluoride: Rydberg states

Hartree-Fock and multiconfiguration Hartree-Fock calculations are reported on some low-lying Rydberg states of CF and the ground state of CF⁺. For the CF⁺ ground state, ¹Σ⁺, the calculations give a bond length of 1.55 Å, a fundamental frequency of 1821 cm^?1, and a dissociation energy of 6.9 eV. Many interactions between the valence and Rydberg state manifolds are revealed. Also a strong mixing of the 3dσ and 4sσ components due to an accidental degeneracy is described.