The electron affinity of CF

Xie, Yaoming; Schaefer, Henry F.
December 1994
Journal of Chemical Physics;12/1/1994, Vol. 101 Issue 11, p10191
Academic Journal
Ab initio prediction of the adiabatic electron affinity of CF have been carried out at the self-consistent-field, configuration interaction, and coupled-cluster levels of theory. The most accurate result is 0.40 eV, from the single, double, and the perturbatively connected triple excitation coupled cluster method with Dunning’s augmented correlation consistent polarized valence quadruple ζ basis set. This result disagrees with the earlier experimental report (3.2±0.4 eV), but agrees qualitatively with one of the published density functional results (0.53 eV). © 1994 American Institute of Physics.


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