Spin resolved energy parametrization of a quasi-one-dimensional electron gas

TL;DR

This paper provides a detailed spin-resolved energy parametrization for a quasi-one-dimensional electron gas, based on extensive Monte Carlo calculations, useful for spin density functional theory.

Contribution

It introduces a new parametrization of exchange-correlation energy that accurately captures spin and density dependence in a quasi-1D electron gas.

Findings

The parametrization matches exact low and high density limits.

Monte Carlo calculations confirm the accuracy of the model.

Provides a practical tool for spin density functional calculations.

Abstract

By carrying out extensive lattice regularized diffusion Monte Carlo calculations, we study the spin and density dependence of the ground state energy for a quasi-one-dimensional electron gas, with harmonic transverse confinement and long-range $1/r$ interactions. We present a parametrization of the exchange-correlation energy suitable for spin density functional calculations, which fulfills exact low and high density limits.