papers
Publications (16)
cond-mat.mtrl-sci2019
Nonlocal van der Waals functionals for solids: Choosing an appropriate one
Fabien Tran, Leila Kalantari, Boubacar Traoré +2
cond-mat.mtrl-sci2017
Assessment of the GLLB-SC potential for solid-state properties and attempts for improvement
Fabien Tran, Sohaib Ehsan, Peter Blaha
physics.chem-ph2013
Nonlocal van der Waals functionals: The case of rare-gas dimers and solids
Fabien Tran, Jürg Hutter
cond-mat.mtrl-sci2018
Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density
Fabien Tran, Peter Blaha
cond-mat.mtrl-sci2013
Hybrid functionals for solids with an optimized Hartree-Fock mixing parameter
David Koller, Peter Blaha, Fabien Tran
cond-mat.mtrl-sci2010
Systematic investigation of a family of gradient-dependent functionals for solids
Philipp Haas, Fabien Tran, Peter Blaha +4
cond-mat.mtrl-sci2012
Application of screened hybrid functionals to the bulk transition metals Rh, Pd, and Pt
Fabien Tran, David Koller, Peter Blaha
cond-mat.mtrl-sci2011
A fast and reliable method for the calculation of band structure of solids with hybrid functionals
Fabien Tran
cond-mat.str-el2014
Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods
Fabien Tran, Ferenc Karsai, Peter Blaha
cond-mat.str-el2015
Comparison between exact and semilocal exchange potentials: An all-electron study for solids
Fabien Tran, Markus Betzinger, Peter Blaha +1
cond-mat.mtrl-sci2018
Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: tests on solids
Fabien Tran, Péter Kovács, Leila Kalantari +2
cond-mat.mtrl-sci2016
Rungs 1 to 4 of DFT Jacob's ladder: extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
Fabien Tran, Julia Stelzl, Peter Blaha
cond-mat.mtrl-sci2017
Simple way to apply nonlocal van der Waals functionals within all-electron methods
Fabien Tran, Julia Stelzl, David Koller +2
cond-mat.mtrl-sci2019
Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxides
Jan Doumont, Fabien Tran, Peter Blaha
cond-mat.mtrl-sci2011
Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set
Fabien Tran, Peter Blaha
cond-mat.str-el2016
Approximations to the exact exchange potential: KLI versus semilocal
Fabien Tran, Peter Blaha, Markus Betzinger +1