par Verhaegen, Georges
Référence The Journal of Chemical Physics, 49, 10, page (4674-4679)
Publication Publié, 1968
Article révisé par les pairs
Résumé : Results of ab initia calculations are presented for a series of valence levels of C2+ and for the two lowest states of Cs (x 1∑ g + and X′ IIu). Correlation energies of all the levels are estimated by a new scheme taking into account near-degeneracy effects in the molecule and in the constituent ion pairs. Results for C2 are in close agreement with experiment for equilibrium internuclear distances, vibration frequencies,, term energies and dissociation energies. For C 2+ the calculations show the ground state to be 4∑g- with relatively low-lying (∼0.6 eV)* δg and 2IIu levels. The electron-impact measurement for the appearance potential of C2+ is interpreted as C2 (3IIu, ν= 1)→ Cs+ (4∑-, ν=0). The quartet transition %→4∑- is predicted to lie at 60001. The major doublet transitions all lie in the infrared.