K \' a llay \ and\ author J

author author M · 2008 · The Journal of Chemical Physics · DOI 10.1063/1.2988052

2 Pith papers cite this work, alongside 161 external citations. Polarity classification is still indexing.

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FNO-CCSDTQ(5)$_\Lambda$ as an economical alternative for connected quintuple excitations contributions in coupled cluster thermochemistry

physics.chem-ph · 2026-05-19 · unverdicted · novelty 5.0 · 3 refs

FNO truncation at 0.0025-0.001 cutoffs plus extrapolation from {0.005,0.0025} approximates quintuple contributions in CCSDTQ(5) for thermochemistry, with slower convergence for second-row compounds.

A new open-shell CCSDTQ implementation and its application to the basis set convergence of post-CCSDT(Q) corrections in computational thermochemistry

physics.chem-ph · 2026-05-19 · 2 refs

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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 physics.chem-ph · 2026-05-19 · unreviewed · ref 31 · 2 links

K \' a llay \ and\ author J

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