258 citations · 1.4k across the 31 of their papers we have counts for
Showing 2013Show all
3 papers · 1 filter
cond-mat.str-el2013★ 18 cited
Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods
Fabien Tran, Ferenc Karsai, Peter Blaha
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the e…
cond-mat.mtrl-sci2013★ 106 cited
Hybrid functionals for solids with an optimized Hartree-Fock mixing parameter
David Koller, Peter Blaha, Fabien Tran
(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, h…
physics.chem-ph2013★ 47 cited
Nonlocal van der Waals functionals: The case of rare-gas dimers and solids
Fabien Tran, Jürg Hutter
Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schroeder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)] have att…