English

Generalized local-density approximation and one-dimensional finite uniform electron gases

Chemical Physics 2015-08-12 v2 Strongly Correlated Electrons

Abstract

We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional (1D) uniform electron gases (UEGs). The fundamental parameters of the GLDA \textemdash a generalization of the widely-known local-density approximation (LDA) used in density-functional theory (DFT) \textemdash are the electronic density ρ\rho and a newly-defined two-electron local parameter called the hole curvature η\eta. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of nn electrons on a infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.

Keywords

Cite

@article{arxiv.1403.5358,
  title  = {Generalized local-density approximation and one-dimensional finite uniform electron gases},
  author = {Pierre-François Loos},
  journal= {arXiv preprint arXiv:1403.5358},
  year   = {2015}
}

Comments

18 pages, 1 figure

R2 v1 2026-06-22T03:31:21.511Z