Electronic States of C_2-Molecule, II : Effect of 2s-Shells

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Adiabatic potentials corresponding to 62 electronic states, arising from various configurations of the C_2-molecule which consists of two carbon atoms with two 2p-electrons each, are calculated taking into account the effect of 2s-shells. The complete adiabatic IIamiltonian of eight electrons, but not a so-called interaction operator, is used, and direct, exchange, higher permutation, and overlapping integrals are all taken into account. The same effective charge x is assumed for 2s, 2pσ, and two 2pπ orbitals, and the minimum electronic energy is obtained by varying x for each nuclear distance. It is found that 2s-shells repel 2pσ electrons and attract 2pπ-electrons. Thus(s^2σ^2, s^2σ^2)^1Σg + state, which was found to be attractive and deepest when the effect of 2s-shells was neglected in the previous paper, becomes very higher and repulsive. The results of the presen calculation are that the deepest state is(s^2σπ, ^2σπ)^1Δg and that(s^2σπ, ^2σ〓)^1Σg + and(s^2σπ, s^2π〓)^1Πu are next and third respectively.
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