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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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T. Sun

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Sep 2026

Evaluation of the coupled-cluster correction term, δCCSD(T)MP2, calculated using small valence basis sets.

In the focal-point estimation of the coupled cluster with singles, doubles, and perturbative triples [CCSD(T)] interaction energies followed by extrapolation to the complete basis set (CBS) limit, the most critical and challenging step is the rapid and accurate calculation of the coupled-cluster correction term, δMP2CC...

T. Sun, Wei-Zhou Wang, Yi-Bo Wang · 0 citations

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