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Ground state and main spectroscopic system of the nitrogen-molecule positive ion

par Verhaegen, Georges ;Richards, WG Graham;Moser, Carl C.M.
Référence The Journal of Chemical Physics, 47, 8, page (2595-2598)
Publication Publié, 1967

Article révisé par les pairs

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Résumé :

The ground state and first excited state of the nitrogen-molecule positive ion are calculated using the matrix Hartree-Fock approximation, which results in a reversal of the observed spectroscopic order of states. The inclusion of estimates of correlation-energy differences between the levels corrects this and leads to a calculated term value of the excited state (1.17 eV) in extremely close agreement with experiment (1.16 eV).