Corpus ID: 117724187

Non-Koopmans correction to the convexity and inaccuracy of orbital levels in local and semilocal density-functional theories

@inproceedings{Dabo2010NonKoopmansCT,
  title={Non-Koopmans correction to the convexity and inaccuracy of orbital levels in local and semilocal density-functional theories},
  author={I. Dabo and A. Ferretti and N. Poilvert and N. Marzari and M. Cococcioni},
  year={2010}
}
Submitted for the MAR10 Meeting of The American Physical Society Non-Koopmans correction to the convexity and inaccuracy of orbital levels in local and semilocal density-functional theories ISMAILA DABO, Paris-Est University, ANDREA FERRETTI, NICOLAS POILVERT, NICOLA MARZARI, MIT, MATTEO COCOCCIONI, University of Minnesota — Local and semilocal density-functional approximations provide excellent predictions for systems with non-fractional electron occupations. However, such theories… Expand