Description:
<jats:p>A variety of wavefunctions are constructed for the neon dihydride molecule. The Hartree—Fock wavefunction is decomposed into its constituent valence-bond structures and the effects of the orbital constraints are analyzed. The constraints imposed by writing this wavefunction as a single determinant may render the molecular-orbital method incapable of distinguishing between attractive and repulsive potential surfaces.</jats:p>