Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states.

Journal of Physical Chemistry A, 2006

756 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/1b6b65e2f1437da921cb98515ddec1bef7da9e40

Citations in the corpus

• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, neutral): “8,167] GH-GGA 100 HSE06 2006 [54,55] RSH-GGA 25–0 LC-ωPBE 2006 [52] RSH-GGA 0–100 M05 2005 [62] GH-mGGA 28 M05-2X 2005 [63] GH-mGGA 56 M06 2008 [65] GH-mGGA 27 M06-2X 2008 [65] GH-mGGA 54 M06-HF 2006 [66] GH-mGGA 100 M06-L 2006 [64] mGGA 0 M08-HX 2008 [67] GH-mGGA 52.23 M08-SO 2008 [67] GH-mGGA 56.7”