Open-shell CCSDTQ implementation reveals rapid convergence of (Q)Λ corrections and identifies a combined CCSDTQ(5)Λ-CCSDT(Q)Λ correction as most efficient, with good agreement for ozone electron affinity.
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A new open-shell CCSDTQ implementation and its application to the basis set convergence of post-CCSDT(Q) corrections in computational thermochemistry
Open-shell CCSDTQ implementation reveals rapid convergence of (Q)Λ corrections and identifies a combined CCSDTQ(5)Λ-CCSDT(Q)Λ correction as most efficient, with good agreement for ozone electron affinity.