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The variational method is used to obtain approximate wave functions for the 2pπ u and 3dπ g states of H 2 +. Their accuracy is assessed by comparing the values of various quantities computed from them with the corresponding values computed from the exact wave functions. The dependence of the total kinetic and potential energies on the nuclear separation is briefly discussed.
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Moiseiwitsch et al. (1954) studied this question.
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