Abstract
The effect of different basis sets of the spectroscopic data of the ground state $$ X^{1} \Upsigma_{g}^{ + } $$ of nitrogen molecule (N2) is analyzed using complete active space self-consistent field/multi-reference configuration interaction theory. Then the augmented correlation consistent polarized valence quintuple ζ basis sets (Aug-cc-pV5Z) are selected to compute nine low-lying excited states of N2 molecule. Potential energy curves of these states are also plotted. The spectroscopic constants Re, $$ {{\upomega}} $$ e and De for the ten states have been evaluated and critically compared with the available experimental values and the other theoretical data. And the spectroscopic constants of the $$ A'^{5} \Upsigma_{g}^{ + } $$ state are obtained which are not yet observed through experiment.
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