146 citations · 175 across the 6 of their papers we have counts for
3 papers · 1 filter
Density gradients for the exchange energy of electrons in two dimensions
S. Pittalis, E. Rasanen, J. G. Vilhena +1
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations…
Local correlation functional for electrons in two dimensions
S. Pittalis, E. Rasanen, M. Marques
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti…
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of van der Waals forces
Silvana Botti, Alberto Castro, Xavier Andrade +2
We present fully ab-initio calculations of van der Waals coefficients for two different situations: i) the interaction between hydrogenated silicon clusters; and ii) the interactio…