WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz, R Laskowski, ... Vienna University of Technology, Vienna, Austria, www.wien2k.at, 2018 | 12534* | 2018 |

Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential F Tran, P Blaha Physical Review Letters 102 (22), 226401, 2009 | 5664 | 2009 |

WIEN2k: An APW+ lo program for calculating the properties of solids P Blaha, K Schwarz, F Tran, R Laskowski, GKH Madsen, LD Marks The Journal of chemical physics 152 (7), 2020 | 1609 | 2020 |

Calculation of the lattice constant of solids with semilocal functionals P Haas, F Tran, P Blaha Physical Review B 79 (8), 085104, 2009 | 1099 | 2009 |

Merits and limits of the modified Becke-Johnson exchange potential D Koller, F Tran, P Blaha Physical Review B 83 (19), 195134, 2011 | 921 | 2011 |

Improving the modified Becke-Johnson exchange potential D Koller, F Tran, P Blaha Physical Review B 85 (15), 155109, 2012 | 713 | 2012 |

Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides F Tran, P Blaha, K Schwarz, P Novák Physical Review B 74 (15), 155108, 2006 | 465 | 2006 |

Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional F Tran, R Laskowski, P Blaha, K Schwarz Physical Review B 75 (11), 115131, 2007 | 399 | 2007 |

Band gap calculations with Becke–Johnson exchange potential F Tran, P Blaha, K Schwarz Journal of Physics: Condensed Matter 19 (19), 196208, 2007 | 364 | 2007 |

Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors YS Kim, M Marsman, G Kresse, F Tran, P Blaha Physical Review B 82 (20), 205212, 2010 | 352 | 2010 |

Rungs 1 to 4 of DFT Jacob’s ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids F Tran, J Stelzl, P Blaha The Journal of Chemical Physics 144 (20), 204120, 2016 | 255 | 2016 |

Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set F Tran, P Blaha Physical Review B 83 (23), 235118, 2011 | 226 | 2011 |

Large-scale benchmark of exchange–correlation functionals for the determination of electronic band gaps of solids P Borlido, T Aull, AW Huran, F Tran, MAL Marques, S Botti Journal of Chemical Theory and Computation 15 (9), 5069-5079, 2019 | 210 | 2019 |

Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning P Borlido, J Schmidt, AW Huran, F Tran, MAL Marques, S Botti npj Computational Materials 6, 96, 2020 | 201 | 2020 |

Importance of the kinetic energy density for band gap calculations in solids with density functional theory F Tran, P Blaha The Journal of Physical Chemistry A 121 (17), 3318-3325, 2017 | 163 | 2017 |

Link between the kinetic‐and exchange‐energy functionals in the generalized gradient approximation F Tran, TA Wesołowski International Journal of Quantum Chemistry 89 (5), 441-446, 2002 | 130 | 2002 |

Insight into the performance of GGA functionals for solid-state calculations P Haas, F Tran, P Blaha, K Schwarz, R Laskowski Physical Review B 80 (19), 195109, 2009 | 116 | 2009 |

Construction of an optimal GGA functional for molecules and solids P Haas, F Tran, P Blaha, K Schwarz Physical Review B 83 (20), 205117, 2011 | 114 | 2011 |

Gradient-free and gradient-dependent approximations in the total energy bifunctional for weakly overlapping electron densities TA Wesolowski, F Tran The Journal of Chemical Physics 118 (5), 2072-2080, 2003 | 107 | 2003 |

Hybrid functionals for solids with an optimized Hartree–Fock mixing parameter D Koller, P Blaha, F Tran Journal of Physics: Condensed Matter 25 (43), 435503, 2013 | 105 | 2013 |