Full CI calculations have been performed on the CH3 radical. The full CI results are compared to those obtained using CASSCF/multireference CI and coupled-pair functional methods, both at the equilibrium CH distance and at geometries with the three CH bonds extended. In general, the performance of the approximate methods is similar to that observed in calculations on other molecules in which one or two bonds were stretched.
No takes yet. Share an insight, caveat, or question.
Bauschlicher et al. (1987) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: