FNO-CCSDTQ(5) with NO cutoffs of 0.0025 or 0.001, plus naive extrapolation, provides a viable low-cost approximation to quintuple excitation contributions in coupled cluster thermochemistry.
Wiley Interdiscip
2 Pith papers cite this work. Polarity classification is still indexing.
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physics.chem-ph 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
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.
citing papers explorer
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FNO-CCSDTQ(5)$_\Lambda$ as an economical alternative for connected quintuple excitations contributions in coupled cluster thermochemistry
FNO-CCSDTQ(5) with NO cutoffs of 0.0025 or 0.001, plus naive extrapolation, provides a viable low-cost approximation to quintuple excitation contributions in coupled cluster thermochemistry.
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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.