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XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal energetics with unprecedented accuracy

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dc.contributor.authorPrice, Alastair J. A.
dc.contributor.authorOtero-de-la-Roza, Alberto
dc.contributor.authorJohnson, Erin R.
dc.date.accessioned2025-04-17T18:01:14Z
dc.date.available2025-04-17T18:01:14Z
dc.date.issued2022-12-15
dc.descriptionThis document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Chem. Sci., copyright Royal Society of Chemistry after peer review. To access the final edited and published work see https://doi.org/10.1039/D2SC05997E
dc.identifier.citationChem. Sci. 14, 1252-1262 (2023)
dc.identifier.urihttps://hdl.handle.net/10222/85026
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofChem. Sci.
dc.titleXDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal energetics with unprecedented accuracy

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