Fabien Tran
Title
Cited by
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
9553*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
34792009
Calculation of the lattice constant of solids with semilocal functionals
P Haas, F Tran, P Blaha
Physical Review B 79 (8), 085104, 2009
7942009
Merits and limits of the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 83 (19), 195134, 2011
6062011
Improving the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 85 (15), 155109, 2012
3922012
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
3562006
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
3212007
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
2622010
Band gap calculations with Becke–Johnson exchange potential
F Tran, P Blaha, K Schwarz
Journal of Physics: Condensed Matter 19 (19), 196208, 2007
2362007
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
1412016
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
1372011
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
1052002
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), 074101, 2020
952020
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
892003
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
832011
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
822009
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
752017
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
612013
Assessment of DFT functionals with NMR chemical shifts
R Laskowski, P Blaha, F Tran
Physical Review B 87 (19), 195130, 2013
612013
Physisorption of molecular hydrogen on polycyclic aromatic hydrocarbons: A theoretical study
F Tran, J Weber, TA Wesołowski, F Cheikh, Y Ellinger, F Pauzat
The Journal of Physical Chemistry B 106 (34), 8689-8696, 2002
612002
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