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We investigate the renormalized perturbative triples correction together withthe externally corrected coupled-cluster singles and doubles (ecCCSD) method.We take the density matrix renormalization group (DMRG) and heatbath CI (HCI)as external sources for the ecCCSD equations. The accuracy is assessed for thepotential energy surfaces of H2O, N2, and F2. We find that the triplescorrection significantly improves on ecCCSD and we do not see any instabilityof the renormalized triples with respect to dissociation. We explore how tobalance the cost of computing the external source amplitudes with respect tothe accuracy of the subsequent CC calculation. In this context, we find thatvery approximate wavefunctions (and their large amplitudes) serve as anefficient and accurate external source. Finally, we characterize the domain ofcorrelation treatable using the externally corrected method and renormalizedtriples combination studied in this work via a well-known wavefunctiondiagnostic.

Externally corrected CCSD with renormalized perturbative triples  (R-ecCCSD(T)) and density matrix renormalization group and selected  configuration interaction external sources