Electron collisions with the CF2 radical using the R-matrix method

Rozum, I.; Mason, N.J. and Tennyson, J. (2002). Electron collisions with the CF2 radical using the R-matrix method. Journal of Physics B: Atomic, Molecular and Optical Physics, 35(6) pp. 1583–1591.

URL: http://www.ingentaconnect.com/content/iop/jphysb/2...

Abstract

The R-matrix method is used to treat electron collisions with the molecular radical CF2. These calculations concentrate on obtaining low-energy (less than 10 eV) elastic and excitation cross sections of the six lowest-lying electronically excited states of the CF2 molecule. These states have symmetry 3B1, 1B1, 3A2, 1A2, 3B2 and 1B2 and vertical excitation energies in the range 2.44-10 eV. Two shape resonances of 2A1 and 2B1 symmetries are found at 5.61 and 0.95 eV respectively. Calculations which stretch one C-F bond show that the 2B1 resonance becomes bound at a bond length beyond 3.2 a0. No other bound CF2- states are found.

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