MP2-F12 Basis Set Convergence near the Complete Basis Set Limit: Are <i>h</i> Functions Sufficient?

J Phys Chem A · 2022 · PMC9234959 · PMID 35687124

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closest p

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somewhat significantno p-value reported

And for those reactions where Δ i is still somewhat significant at the MP2-F12 level, the corresponding estimated CCSD-F12b and especially CCSD(F12*) increments are actually up to 3 times smaller.

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