Abstract
It has been previously published that density functional theory (DFT) methods do not perform very well when they are used for the calculation of electron affinities. In this report, it will be shown that when DFT methods (the B3LYP method is used) are coupled to high-level ab initio methods such as the CCSD (T) or QCISD (T) methods, highly accurate results are obtained. Among the most recent of these methods are the CBS-QB3 and G3B3 variants of the CBS-Q and G3 method, respectively. Basis set effects within the DFT methods for these calculations will also be addressed.
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