Recent progress in the computational many-body theory of metal surfaces

2000/12/07 by Maziar Nekovee, M. Nekovee, J. M. Pitarke +1
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Excited state #Focus (optics) #Jellium #Quantum Monte Carlo #Quasiparticle #Surface (topology) #Surface and Thin Film Phenomena #Work (physics) #cond-mat.mtrl-sci

paper · pdf · doi:10.1016/s0010-4655(01)00175-8

published as Comput. Phys. Commun. 137, 123 (2001) · 17 pages, 1 figure, to appear in Comput. Phys. Commun

arxiv created 2000/12/07 · openalex publication_date 2001/06/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to ground and excited states. We discuss the exchange-correlation hole, the surface energy, and the work function of jellium surfaces, as obtained within the random-phase approximation, a time-dependent density-functional approach, and quantum Monte Carlo methods. We also present a survey of recent quasiparticle calculations of unoccupied states at both jellium and real surfaces.

Citations

• Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
• Generalized Gradient Approximation Made Simple
• Lifetimes of Image-Potential States on Copper Surfaces
• New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
• TheGWmethod
• A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas
• Irreversibility and Generalized Noise
• Self-interaction correction to density-functional approximations for many-electron systems
• Equation of State Calculations by Fast Computing Machines
• Beyond the local-density approximation in calculations of ground-state electronic properties
• The surface energy of metals
• Self-Consistent Equations Including Exchange and Correlation Effects