Coupling between thermochemical contributions of subvalence correlation and of higher-order post-CCSD(T) correlation effects -- a step toward `W5 theory'

arXiv:2601.02294v4 Announce Type: replace Abstract: We consider the thermochemical impact of post-CCSD(T) contributions to the total atomization energy (TAE, the sum of all bond energies) of first- and second-row molecules, and specifically their coupling with the subvalence c...

🔗 Read more: https://arxiv.org/abs/2601.02294

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