Francis and Bernardi, Fernando , doi =

Boys, S

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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 · 2 refs

FNO-CCSDTQ(5)Λ with NO cutoffs of 0.0025 or 0.001, plus naive extrapolation from {0.005, 0.0025}, offers a practical low-cost route to quintuple excitation contributions in thermochemistry.

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

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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 61

Francis and Bernardi, Fernando , doi =

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