Reformulation of DFTþ U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Luis A. Agapito, Stefano Curtarolo, and Marco Buongiorno Nardelli Department of Physics, University of North Texas, Denton, Texas 76203, USA Center for Materials Genomics, Duke University, Durham, North Carolina 27708, USA Materials Science, Electrical Engineering, Physics and Chemistry, Duke University, Durham, North Carolina 27708, USA Department of Physics and Department of Chemistry, University of North Texas, Denton, Texas 76203, USA (Received 10 June 2014; published 28 January 2015)