A simple classical mapping of the spin-polarized quantum electron gas: distribution functions and local field corrections

TL;DR

This paper introduces a simple classical mapping approach to model the spin-polarized quantum electron gas, accurately reproducing pair distribution functions and local field corrections using classical fluid techniques.

Contribution

It presents a novel classical mapping method based on exchange-correlation energy to compute properties of spin-polarized electron gases, aligning classical and quantum results.

Findings

Classical pair distribution functions match quantum Monte Carlo results.

Method accurately predicts local-field corrections at various temperatures.

Computational simplicity extends applicability beyond current QMC limitations.

Abstract

We use the now well known spin-unpolarized exchange-correlation energy E_{xc} of the uniform electron gas as the basic ``many-body'' input to determine the temperature T_q of a classical Coulomb fluid having the same correlation energy as the quantum system. It is shown that the spin-polarized pair distribution functions (SPDFs) of the classical fluid at T_q, obtained using the hyper-netted chain (HNC) equation are in excellent agreement with those of the T=0 quantum fluid obtained by quantum Monte Carlo (QMC) simulations. These methods are computationally simple and easily applied to problems which are currently outside the scope of QMC. Results are presented for the SPDFs and the local-field corrections to the response functions of the electron fluid at zero and finite temperatures.