258 citations · 276 across the 2 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2017★ 18 cited
Simple way to apply nonlocal van der Waals functionals within all-electron methods
Fabien Tran, Julia Stelzl, David Koller +2
The method based on fast Fourier transforms proposed by G. Román-Pérez and J. M. Soler [Phys. Rev. Lett. 103, 096102 (2009)], which allows for a computationally fast implementation…
cond-mat.mtrl-sci2016★ 258 cited
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
A large panel of old and recently proposed exchange-correlation functionals belonging to rungs 1 to 4 of Jacob's ladder of density functional theory are tested (with and without a…