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20202023
most citedAccurate prediction of the properties of materials using the CAM-B3LYP Density Functional

96 citations · 110 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2020★ 14 cited

Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials

Musen Li, Rika Kobayashi, Roger D. Amos +2

Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states invo…