English

Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension

Chemical Physics 2015-06-18 v2 Other Condensed Matter Strongly Correlated Electrons

Abstract

We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius \rs\rs and a two-electron hole curvature parameter η\eta at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, is is also exact for finite uniform electron gases on spheres. We present an explicit gLDA functional for the correlation energy of electrons that are confined to a one-dimensional space and compare its accuracy with LDA, second- and third-order M{\o}ller-Plesset perturbation energies and exact calculations for a variety of inhomogeneous systems.

Keywords

Cite

@article{arxiv.1401.0953,
  title  = {Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension},
  author = {Pierre-François Loos and Caleb J. Ball and Peter M. W. Gill},
  journal= {arXiv preprint arXiv:1401.0953},
  year   = {2015}
}

Comments

26 pages, 2 figures, accepted for publication in Journal of Chemical Physics

R2 v1 2026-06-22T02:39:25.649Z