239 citations · 239 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2008★ 239 cited
On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions
Biswajit Santra, Angelos Michaelides, Martin Fuchs +3
Second order Moeller-Plesset perturbation theory (MP2) at the complete basis set (CBS) limit and diffusion quantum Monte Carlo (DMC) are used to examine several low energy isomers…
cond-mat.mtrl-sci2005
Role of semicore states in the electronic structure of group-III nitrides: An exact exchange study
A. Qteish, A. I. Al-Sharif, M. Fuchs +3
The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave ap…
cond-mat.other2004
Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M. Fuchs, Y. -M. Niquet, X. Gonze +1
We show that density functional theory within the RPA (random phase approximation for the exchange-correlation energy) provides a correct description of bond dissociation in H…