Configuration interaction calculations on the nitrogen molecule

A contracted Gaussian basis set capable of describing about 63% of the correlation energy of N₂ has been used in a detailed configuration-interaction calculation. Second-order perturbation theory overestimated the correlation energy by 23–50% depending on how H⁰ was chosen. Pair-pair interaction affects the correlation energy by about 20% while quadruple excitations have an 8% effect.