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Position-dependent exact-exchange energy for slabs and semi-infinite jellium
C. M. Horowitz, L. A. Constantin, C. R. Proetto +1
The position-dependent exact-exchange energy per particle (defined as the interaction between a given electron at and its exact-exchange hole) at metal surfa…
An efficient method for the Quantum Monte Carlo evaluation of the static density-response function of a many-electron system
R. Gaudoin, J. M. Pitarke
In a recent Letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy,…
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…