XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal energetics with unprecedented accuracy
Date
2022-12-15
Journal Title
Journal ISSN
Volume Title
Publisher
Royal Society of Chemistry
Abstract
Description
This 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
Keywords
Citation
Chem. Sci. 14, 1252-1262 (2023)