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Very recently, we introduced a set of correlation consistent effective corepotentials (ccECPs) constructed within full many-body approaches. By employingsignificantly more accurate correlated approaches we were able to reach a newlevel of accuracy for the resulting effective core Hamiltonians. We alsostrived for simplicity of use and easy transferability into a variety ofelectronic structure methods in quantum chemistry and condensed matter physics.Here, as a reference for future use, we present exact or nearly-exact totalenergy calculations for these ccECPs. The calculations cover H-Kr elements andare based on the state-of-the-art configuration interaction (CI),coupled-cluster (CC), and quantum Monte Carlo (QMC) calculations withsystematically eliminated/improved errors. In particular, we carry out fullCI/CCSD(T)/CCSDT(Q) calculations with cc-pVnZ with up to n=6 basis sets and weestimate the complete basis set limits. Using combinations of these approaches,we achieved an accuracy of $\approx$ 1-10 mHa for K-Zn atoms and $\approx$0.1-0.3 mHa for all other elements $-$ within about 1% or better of the ccECPtotal correlation energies. We also estimate the corresponding kinetic energieswithin the feasible limit of full CI calculations. In order to provide data forQMC calculations, we include fixed-node diffusion Monte Carlo energies for eachelement that give quantitative insights into the fixed-node biases forsingle-reference trial wave functions. The results offer a clear benchmark forfuture high accuracy calculations in a broad variety of correlated wavefunction methods such as CI and CC as well is in stochastic approaches such asreal space sampling QMC.

Accurate atomic correlation and total energies for correlation consistent effective core potentials