Abstract
Using the Rayleigh-Ritz variational method, the 1σ states of the hydrogen molecule arising from the [H(1s), H(2s or p)], [H+, H-(1s)2] and [H(1s), H(3s, p or d)] configurations are investigated in the region of transition from ionic to homopolar character. Potential energy curves are given for these regions. It is shown that the admixture of configurations has a very considerable effect on the potential energy curves even at large nuclear separations. The ionic content is defined and calculated for [H(1s), H(3s, p or d)] states and found to vary rapidly in the transition region. The bearing of this result on collision theory is discussed briefly.
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