Abstract
Restricted active space (RAS) SCF and multi-reference (MR) CI wavefunctions have been to compute the electron affinity of NH 2. The best calculted value, 0.728 eV, is in good agreement with the experimental value, 0.771 ± 0.005 eV. The convergence of the theoretical value has been thorougly checked with respect to a systematic expansion of both the one-electron basis and the reference configuration
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