activity
20072023
most citedLocalization and delocalization errors in density functional theory and implications for band-gap prediction

1.3k citations · 2.9k across the 14 of their papers we have counts for

collaborators
Showing 2009Show all

1 paper · 1 filter

cond-mat.other2009★ 2 cited

Failure of the random phase approximation correlation energy

Paula Mori-Sánchez, Aron J. Cohen, Weitao Yang

The random phase approximation (RPA) to the correlation energy is extended to fractional occupations and its performance examined for exact conditions on fractional charges and fra…