109 citations · 297 across the 8 of their papers we have counts for
8 papers
Electron-hole pair creation by atoms incident on a metal surface
J. R. Trail, D. M. Bird, M. Persson +1
Electron-hole pair creation by an adsorbate incident on a metal surface is described using \textit{ab initio} methods. The approach starts with standard first principles electronic…
Energy loss of atoms at metal surfaces due to electron-hole pair excitations: First-principles theory of "chemicurrents"
J. R. Trail, M. C. Graham, D. M. Bird +2
A method is presented for calculating electron-hole pair excitation due to an incident atom or molecule interacting with a metal surface. Energy loss is described using an \textit{…
Density-functional embedding using a plane-wave basis
J. R. Trail, D. M. Bird
The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski…
Core reconstruction in pseudopotential calculations
J. R. Trail, D. M. Bird
A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic…
Accurate structure factors from pseudopotential methods
J. R. Trail, D. M. Bird
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of…
Newns-Anderson model of chemicurrents in H/Cu and H/Ag
M. S. Mizielinski, D. M. Bird, M. Persson +1
The excitation of the electronic system induced by the adsorption of a hydrogen atom on the (111) surfaces of copper and silver is investigated using the time-dependent, mean-field…