258 citations · 1.4k across the 31 of their papers we have counts for
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Perturbation approach to ab initio effective mass calculations
Oleg Rubel, Fabien Tran, Xavier Rocquefelte +1
A degenerate perturbation approach for effective mass calculations is implemented in the all-electron density functional theory (DFT) package WIEN2k. The accuracy is tes…
Shortcomings of meta-GGA functionals when describing magnetism
Fabien Tran, Guillaume Baudesson, Jesús Carrete +4
Several recent studies have shown that SCAN, a functional belonging to the meta-generalized gradient approximation (MGGA) family, leads to significantly overestimated magnetic mome…
Validation of pseudopotential calculations for the electronic band gap of solids
Pedro Borlido, Jan Doumont, Fabien Tran +2
Nowadays pseudopotential density-functional theory calculations constitute the standard approach to tackle solid-state electronic problems. These rely on distributed pseudopotentia…