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Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs | | 1999 | 519 |
Tests of functionals for systems with fractional electron number | Journal of Chemical Physics | 2007 | 503 |
Density functional theory and the band gap problem | International Journal of Quantum Chemistry | 2009 | 462 |
Novel stabilization mechanism on polar surfaces: ZnO(0001)-Zn | Physical Review Letters | 2003 | 451 |
Interaction of Molecular Oxygen with the Vacuum-Annealed TiO2(110) Surface: Molecular and Dissociative Channels | Journal of Physical Chemistry B | 1999 | 433 |
Workhorse semilocal density functional for condensed matter physics and quantum chemistry | Physical Review Letters | 2009 | 426 |
Mn 3s exchange splitting in mixed-valence manganites | Physical Review B | 2002 | 407 |