70 citations · 109 across the 9 of their papers we have counts for
Showing 2014Show all
3 papers · 1 filter
cond-mat.mtrl-sci2014★ 3 cited
Atomic correlation energies and the generalized gradient approximation
Kieron Burke, Antonio Cancio, Tim Gould +1
Careful extrapolation of atomic correlation energies suggests that tends to as tends to infinity, where is the atomic number, is known, and …
physics.chem-ph2014★ 70 cited
Kohn-Sham potentials in exact density-functional theory at non-integer electron numbers
Tim Gould, Julien Toulouse
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C an…
cond-mat.mtrl-sci2014
A comment on "Interlayer interactions in graphites" [Chen et al., Sci. Rep. 3, 3046 (2013)]
Tim Gould, Tomas Bucko, Sebastien Lebegue
Determining the material properties of layered systems like graphite and bigraphene from \emph{ab initio} calculations is very difficult. This is mostly due to the complex van der…