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Calculations of the potential energy curves of the ground states of Mo2 and Cr2 are described, using a number of configuration interaction treatments including varying degrees of left-right correlation. Optimization of the form of the one-electron orbitals used in these configuration interaction expansions is necessary to predict binding. The calculated potential curves are discussed in the light of the available experimental data.
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Atha et al. (1982) studied this question.
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