post-CCSDT(Q
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Related Articles from SNS
A new open-shell CCSDTQ implementation and its application to the basis set convergence of post-CCSDT(Q) corrections in computational thermochemistry
arXiv:2605.19860v2 Announce Type: replace Abstract: We extend the CCSDTQ implementation in CFOUR to UHF and ROHF references and demonstrate its efficiency. We apply it to basis set convergence of post-CCSDT(Q) corrections for the W4-08 thermochemical dataset. Convergence of (Q)$_\Lambda$--(Q) is relatively rapid.