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Fabien Tran
Fabien Tran
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Verified email at tuwien.ac.at
Title
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Cited by
Year
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
56642009
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
16092020
Calculation of the lattice constant of solids with semilocal functionals
P Haas, F Tran, P Blaha
Physical Review B 79 (8), 085104, 2009
10992009
Merits and limits of the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 83 (19), 195134, 2011
9212011
Improving the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 85 (15), 155109, 2012
7132012
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
4652006
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
3992007
Band gap calculations with Becke–Johnson exchange potential
F Tran, P Blaha, K Schwarz
Journal of Physics: Condensed Matter 19 (19), 196208, 2007
3642007
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
3522010
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
2552016
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
2262011
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
2102019
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
2012020
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
1632017
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
1302002
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
1162009
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
1142011
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
1072003
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
1052013
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