2000/10/27 by J. M. Pitarke, A. G. Eguiluz
Earth and Planetary Sciences · Mathematics · Physics and Astronomy · #Adiabatic process #Adiabatic theorem #Advanced Chemical Physics Studies #Approximation error #Born–Huang approximation #Condensed matter physics #Density functional theory #Electron #Extrapolation #Fermi gas #Jellium #Local field #Local-density approximation #Mathematical analysis #Mathematics #Physics #Quantum mechanics #Random phase approximation #Slab #Surface and Thin Film Phenomena #cond-mat.mtrl-sci #nanoparticles nucleation surface interactions
paper · pdf · doi:10.1103/physrevb.63.045116
published as Phys. Rev. B 63, 45116 (2001) · 11 pages, 8 figures, to appear in Phys. Rev. B
arxiv created 2000/10/27 · openalex publication_date 2001/01/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We report extensive self-consistent calculations of jellium surface energies by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation, with use of self-consistent electron density profiles. The exchange-correlation energy is then obtained from an exact adiabatic fluctuation-dissipation formula. We also investigate quantum-size effects and the extrapolation of finite-slab calculations to the infinite-width limit.