| http://www.w3.org/ns/prov#value | - The considered LC density functionals include the combination forms of exchange and correlation functionals (BLYP, PBE, TPSS), pure functionals (tHCTH and B97-D), exchange-only functionals (HFS, HFB, and XAlpha), hybrid functionals (CAM-B3LYP, LC-?PBE, ?B97, ?B97X), and dispersion-corrected hybrid functional ?B97X-D. Our results reveal that the SAC-CI gives the best performance for Rydberg excited
|
