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N2+ bound quartet and sextet state potential energy curves
Authors:Harry Partridge  Charles W Bauschlicher  James R Stallcop
Institution:Research Institute for Advanced Computer Science, NASA Ames Research Center, Moffett Field, CA 94035, U.S.A.;Computational Chemistry and Aero-Thermodynamics Br., NASA Ames Research Center, Moffett Field, CA 94035, U.S.A.
Abstract:Potential energy curves for the 4Σ+u, 4Πg and 6Σ+g states of N+2 that dissociate to N (4S0) and N+(3P), have been determined from a complete active space self-consistent field calculation. The 6Σ+g state is found to be significantly bound (De = 2.68 eV) with a minimum at 1.72 Å.
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