Coupled-cluster molecular properties across the main group that extrapolate beyond training size
arXiv:2608.18346v2 Announce Type: replace-cross Abstract: Coupled-cluster theory defines the accuracy standard for molecular electronic-structure properties but scales too steeply for routine application, whereas density-functional theory is…
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Published4 h ago (Fri, 02 Oct 2026 04:00:00 GMT)
RetrievedFri, 02 Oct 2026 07:00:28 GMT via rss
ClassifiedFri, 02 Oct 2026 07:00:40 GMT by heuristic
AuthorWenhao He, Xu Chen, Noah Song, Haowei Xu, Tim S. Hindges, Bohan Li, Zihan Lin, Yu Yao, Avetik R. Harutyunyan, Fang…