Separated Wavefunctions for the Ground State of Two-Electron Atoms

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Abstract
Partially separated wavefunctions of the form U(r1, r2)W(r12) yield helium ground‐state energies in error by as little as 4 × 10−4 a.u. Completely separated functions F(r1)F(r2)W(r12) give distinctly poorer results. The correlation function W(r12) = (1 + Br12)1 / 2 yields energy errors of less than 1 × 10−3 a.u. for H−, He, and Li+.