Correction to: Nature Computational Science https://doi.org/10.1038/s43588-024-00747-9, published online 27 December 2024.
In the version of this article initially published, there was a small numerical inaccuracy in one of the data processing scripts, so in the "Evaluating molecular properties" section, the sentence "The reference enthalpy for each carbon and hydrogen atom are determined as –38.04639 a.u. and –0.57550 a.u., respectively, ..." has now been amended to "...–38.04634 a.u. and –0.57545 a.u.". Fig. 3 and its accompanying source data have also been updated, as seen in Fig. 1. Additionally, there was a visualization error in the levels presented in Fig. 4a. In the Fig. 4a caption now reading “The wavefunctions are visualized by isosurfaces at the level of ±0.04 Å−3/2,” the level “±0.04 Å−3/2” replaces “±0.01 Å−2/3.” In Fig. 4a, the molecular orbitals pictured are now updated to make the isosurface levels exactly “±0.04 Å−3/2.” The changes are reflected in the HTML and PDF versions of the article.
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11 February 2025
In the version of the correction initially published, the corrected reference enthalpy values were incorrect and have now been amended in the HTML and PDF versions.
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Tang, H., Xiao, B., He, W. et al. Author Correction: Approaching coupled-cluster accuracy for molecular electronic structures with multi-task learning. Nat Comput Sci 5, 184 (2025). https://doi.org/10.1038/s43588-025-00767-z
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DOI: https://doi.org/10.1038/s43588-025-00767-z