Rozum, I.; Mason, N.J.; Tennyson, J.; (2003) Electron collisions with the CF radicals using the R-matrix method. Journal of Physics B: Atomic, Molecular and Optical Physics , 36 (12) pp. 2419-2432. 10.1088/0953-4075/36/12/303.

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Abstract

The R-matrix method is used to treat electron collisions with the diatomic radical CF as a function of internuclear separation, R. These calculations concentrate on obtaining low-energy (< 10 eV) elastic and excitation cross sections of the five lowest-lying electronically excited states of the symmetries X2 Π, 4 Σ-, 2 Σ+, 2Δ, 2 Σ- and 4 Π, with vertical excitation energies in the range of 2.86–10 eV. Special measures are required to treat 2 Σ+, which is Rydberg-like for R < 2.6 a0. Three shape resonances of 3Σ-,1 Δ and 1 Σ+ symmetries are fitted. The 1 Δ and 1 Σ+ resonances have a position of 0.91 and 2.19 eV respectively at the equilibrium bond length of CF. The position of the 3 Σ- resonance is close to zero at Re = 2.44 a0 and the resonance becomes bound at larger R. Two weakly bound states of symmetries 3Π and 1 Π were also detected at the equilibrium geometry. Calculations which stretch the C–F bond show that the 1Δ resonance becomes bound at R = 3.3 a0 and 1 Σ+ at larger R.

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