Knowledge Bank

A programme for the automatic computation of electronic wave functions of molecules using molecular integrals as the external data has been constructed for an electronic computer. Using this programme a number of wave functions of the ground, ionic, and excited states of $N2$ have been calculated at various internuclear distances. Transition probabilities, ionisation potentials, molecular orbitals and energy values which have been calculated, and a number of other properties of the ground, ionic and excited states of $N2$ are discussed.