Abstract
A widely used approximation to the exchangecorrelation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced a set of alternative LDAs constructed from onedimensional systems of one, two, and three electrons that resemble the HEG within a finite region. We now construct a HEGbased LDA appropriate for spinless electrons in one dimension and find that it is remarkably similar to the finite LDAs. As expected, all LDAs are inadequate in lowdensity systems where correlation is strong. However, exploring the small but significant differences between the functionals, we find that the finite LDAs give better densities and energies in highdensity exchangedominated systems, arising partly from a better description of the selfinteraction correction.
Original language  English 

Article number  235143 
Pages (fromto)  18 
Number of pages  8 
Journal  Physical Review B 
Volume  97 
Issue number  23 
DOIs  
Publication status  Published  25 Jun 2018 
Bibliographical note
©2018 American Physical SocietyDatasets

Comparison of local density functionals based on electron gas and finite systems
Godby, R. W. (Supervisor), Entwistle, M. (Creator) & Casula, M. (Creator), University of York, 14 Jun 2018
DOI: 10.15124/65cd1dd8c24045a59a470ac6ff870f51, https://doi.org/10.1103/PhysRevB.97.235143
Dataset