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We have performed full configuration interaction computations of the groundstates of the molecules Be, BeH_2, Li, LiH, B, and BH and verified that thecore electrons constitute "separated electron pairs." These separated pairs ofcore electrons have nontrivial structure; the core pair does not simply occupya single spatial orbital.  Our method of establishing the presence of separated electron pairs is directand conclusive. We do not fit a separated pair model; we work with thewavefunctions of interest directly. To establish that a given group ofspin-orbitals contains a quasi-separated pair, we verify by direct computationthat the quantum state of the electrons that occupy those spin-orbitals isnearly a pure 2-electron state.

Strongly separated pairs of core electrons in computed ground states of small molecules