146 citations · 1k across the 33 of their papers we have counts for
12 papers · 1 filter
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
Local modified Becke-Johnson exchange-correlation potential for interfaces, surfaces, and two-dimensional materials
Tomáš Rauch, Miguel A. L. Marques, Silvana Botti
The modified Becke-Johnson meta-GGA potential of density functional theory has been shown to be the best exchange-correlation potential to determine band gaps of crystalline solids…
On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy
Fabien Tran, Jan Doumont, Peter Blaha +3
During the last few years, it has become more and more clear that functionals of the meta generalized gradient approximation (MGGA) are more accurate than GGA functionals for the g…
Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions
Fabien Tran, Jan Doumont, Leila Kalantari +3
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or…
Quasi-Compact Q-Balls
D. Bazeia, M. A. Marques, R. Menezes
This work deals with charged nontopological solutions that appear in relativistic models described by a single complex scalar field in two-dimensional spacetime. We study a model w…
Rotating neutron stars with non-barotropic thermal profile
Giovanni Camelio, Tim Dietrich, Miguel Marques +1
Neutron stars provide an excellent laboratory for physics under the most extreme conditions. Up to now, models of axisymmetric, stationary, differentially rotating neutron stars we…