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A novel approach to rapidly converging high-level coupled-cluster (CC)energetics in an automated fashion is proposed. The key idea is an adaptiveselection of the excitation manifolds defining higher-than-two-body componentsof the cluster operator inspired by the CC($P$;$Q$) moment expansions. Theusefulness of the resulting methodology is illustrated by molecular exampleswhere the goal is to recover the electronic energies obtained using the CCmethod with a full treatment of singly, doubly, and triply excited clusters(CCSDT) when the noniterative triples corrections to CCSD fail.

Converging High-Level Coupled-Cluster Energetics via Adaptive Selection of Excitation Manifolds Driven by Moment Expansions