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Single-electron fluorine bonding. II. Benchmarking Minnesota density functional approximations and popular ab initio methods for binding energies (BEs) and F-bond distances

Khanal, Govinda Prasad et al.
arXiv (All) · Papers
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chemical-physics
Companion paper I (Khanal and Arunan, in this issue; arXiv:2610.16629 [physics.chem-ph]) reported reference BEs and F-bond distances for two new databases SEFB-15 (DF$\cdots$CH$_3$) and CSFB-14 (DF$\cdots$NH$_3$). Here, we assess performance of popular ab initio methods (MP2, MP3, MP4(DQ), MP4(SDQ),
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