Electronic correlations in the ground state of an idealized infinite-layer
high-Tc compound are computed using the ab-initio method of local ansatz.
Comparisons are made with the local-density approximation (LDA) results, and
the correlation functions are analyzed in detail. These correlation functions
are used to determine the effective atomic-interaction parameters for model
Hamiltonians. On the resulting model, doping dependencies of the relevant
correlations are investigated. Aside from the expected strong atomic
correlations, particular spin correlations arise. The dominating contribution
is a strong nearest neighbor correlation that is Stoner-enhanced due to the
closeness of the ground state to the magnetic phase. This feature depends
moderately on doping, and is absent in a single-band Hubbard model. Our
calculated spin correlation function is in good qualitative agreement with that
determined from the neutron scattering experiments for a metal.Comment: 21pp, 5fig, Phys. Rev. B (Oct. 98
