Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward "W5 Theory".

J Phys Chem A · 2026 · PMC13071923 · PMID 41886701

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quite significantno p-value reported

As these species are quite well-behaved from an electronic structure point of view, this observation results almost entirely from correlation contributions to the DBOC, which were neglected in the W4-17 work but become quite significant for these species. 3.11.

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