Percentage of the ℓ = 5 (circles) and “exact” (squares) FEM-MP2 correlation energy recovered by the finite GTF basis set calculations for the closed-shell atoms from Ar (N = 18) to Rn (N = 86).
The ratio . The values of R = 1.125 and 1.236 for He and Be, respectively, are off the scale.
Correlation energies, , in hartrees.
Basis set composition and size; and N are the number of primitive and contracted GTF, respectively.
MP2 correlation energies , in hartrees, and the fraction of arising from electrons with paired spins.
Coupled-cluster correlation energies corrected for basis-set truncation errors and related uncertainties for heavy closed-shell atoms. All energies are in hartrees.
Values of , in hartrees, obtained by three variants (see text) of the spin-component scaled SCS-MP2 method.
Mean and maximum APE with respect to our best values of for Ca to Rn as listed in Table IV.
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