activity
20122016
most citedKohn-Sham potentials in exact density-functional theory at non-integer electron numbers

70 citations · 104 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.supr-con201611 cited

Superconductivity in palladium hydride and deuteride at 52-61 kelvin

H. M. Syed, T. J. Gould, C. J. Webb +1

We report the observation of conventional superconductivity at the highest temperature yet attained without mechanical compression, around 54 kelvin in palladium-hydride and 60 kel…

cond-mat.mtrl-sci20143 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-ph201470 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…

physics.atom-ph201220 cited

Correlation energies beyond the random-phase approximation: ISTLS applied to spherical atoms and ions

Tim Gould, John F. Dobson

The inhomogeneous Singwi, Tosi, Land and Sjolander (ISTLS) correlation energy functional of Dobson, Wang and Gould [PRB {\bf 66} 081108(R) (2008)] has proved to be excellent at pre…