35 papers · 1 filter
The many-body exchange-correlation hole at metal surfaces
Lucian A. Constantin J. M. Pitarke
We present a detailed study of the coupling-constant-averaged exchange-correlation hole density at a jellium surface, which we obtain in the random-phase approximation (RPA) of man…
Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces
Lucian A. Constantin, John P. Perdew, J. M. Pitarke
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact…
Energy loss of charged particles moving parallel to a magnesium surface
M. G. Vergniory, V. M. Silkin, I. G. Gurtubay +1
We present it ab initio calculations of the electronic energy loss of charged particles moving outside a magnesium surface, from a realistic description of the one-electron band st…
Collapse of the Electron Gas to Two Dimensions in Density Functional Theory
Lucian A. Constantin, John P. Perdew, J. M. Pitarke
Local and semilocal density-functional approximations for the exchange-correlation energy fail badly in the zero-thickness limit of a quasi-two-dimensional electron gas, where the…
Theory of inelastic lifetimes of surface-state electrons and holes at metal surfaces
J. M. Pitarke, M. Garcia-Vergniory
After the early suggestion by John Pendry to probe unoccupied bands at surfaces through the time reversal of the photoemission process, the inverse-photoemission technique yielded…
Time-dependent current-density functional theory for the friction of ions in an interacting electron gas
V. U. Nazarov, J. M. Pitarke, Y. Takada +2
Due to the strongly nonlocal nature of the {\em scalar} exchange and correlation (xc) kernel of the time-dependent density-functional theory (TDDFT), t…