Understanding band gaps of solids in generalized Kohn-Sham theory.

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas.

Afiliación

Perdew JP; Department of Physics, Temple University, Philadelphia, PA 19122; perdew@temple.edu.
Yang W; Department of Chemistry, Temple University, Philadelphia, PA 19122.
Burke K; Department of Chemistry, Duke University, Durham, NC 27708.
Yang Z; Department of Chemistry, University of California, Irvine, CA 92697.
Gross EK; Department of Physics, University of California, Irvine, CA 92697.
Scheffler M; Department of Physics, Temple University, Philadelphia, PA 19122.
Scuseria GE; Max-Planck Institut für Mikrostrukturphysik, D-06120 Halle, Germany.
Henderson TM; Fritz-Haber-Institut der Max-Planck-Gesellschaft, D-14195 Berlin, Germany.
Zhang IY; Department of Chemistry and Biochemistry, University of California, Santa Barbara, CA 93106.
Ruzsinszky A; Materials Department, University of California, Santa Barbara, CA 93106.
Peng H; Department of Chemistry, Rice University, Houston, TX 77005.
Sun J; Department of Physics and Astronomy, Rice University, Houston, TX 77005.
Trushin E; Department of Chemistry, Rice University, Houston, TX 77005.
Görling A; Department of Physics and Astronomy, Rice University, Houston, TX 77005.