Comment on "Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities" [J. Chem. Phys. 145, 021101 (2016)]

Abstract

A simple expression for the uniform electron gas (UEG) correlation energy, recently presented in Ref. [J. Chem. Phys. 145, 021101 (2016)], deviates from the reference quantum Monte-Carlo (QMC) data at large r_s. We propose to define one of the parameters from a requirement to match the large-rs QMC data. Functional with the new parameter provides much better agreement with the QMC data at large r_s without deterioration of the functional quality at small and intermediate r_s.

References in corpus (3)

• Local Spin-density Approximation Exchange-correlation Free-energy Functional
• Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
• Correlation energy of the spin-polarized uniform electron gas at high density

Cited by in corpus (4)

• Ab initio construction of the energy density functional for electron systems with the functional-renormalization-group-aided density functional theory
• Accurate Correlation Energy Functional for Uniform Electron Gas from an Interpolation Ansatz without Fitting Parameters
• Examining the justification for the introduction of a fermion localization function
• Relativistic correction of the Coulomb interaction in the local density approximation for energies and radii in doubly-magic nuclei