128 citations · 1.2k across the 43 of their papers we have counts for
4 papers · 1 filter
Binding and interlayer force in the near-contact region of two graphite slabs: experiment and theory
Tim Gould, Ze Liu, Jefferson Zhe Liu +3
Via a novel experiment, Liu \emph{et al.} [Phys. Rev. B, {\bf 85}, 205418 (2012)] estimated the graphite binding energy, specifically the cleavage energy, an important physical pro…
Dispersion corrections in graphenic systems: a simple and effective model of binding
Tim Gould, S. Lebègue, John F. Dobson
We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including th…
How many-body effects modify the van der Waals interaction between graphene sheets
John F. Dobson, Tim Gould, Giovanni Vignale
Undoped graphene (Gr) sheets at low temperatures are known, via Random Phase Approximation (RPA) calculations, to exhibit unusual van der Waals (vdW) forces. Here we show that grap…
Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
Julien Toulouse, Elisa Rebolini, Tim Gould +3
We assess a variant of linear-response range-separated time-dependent density-functional theory (TDDFT), combining a long-range Hartree-Fock (HF) exchange kernel with a short-range…