A theoretical determination of the radiative lifetimes of the A ²Σ⁺ and B ²Δ states of CF

The potential curves for the X ²Π, A ²Σ⁺ and B ²Δ states of the CF molecule have been determined using large Gaussian basis sets and accounting for electron correlation with the CASSCF/multireference CI method. The transition moment function between the X ²Π and A ²Σ⁺ state is found to undergo a dramatic change at 2.6 a₀ where an avoided crossing between the A ²Σ⁺ and a higher lying ²Σ⁺ state causes a significant change in the character of the wave function. Both the A ²Σ⁺ and B ²Δ states are calculated to be metastable species dissociating to C(³P) + F(²P). For the A ²Σ⁺ state both the radiative lifetime and unimolecular decay lifetime for tunneling through the potential barrier have been computed.