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Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme

2024/11/07 by Tolias, Panagiotis, Kalkavouras, Fotios, Dornheim, Tobias +1 · 1 citation
#FOS: Physical sciences #Plasma Physics (physics.plasm-ph) #Quantum Gases (cond-mat.quant-gas)

paper · doi:10.48550/arxiv.2411.04904

Abstract

The recently derived Fourier--Matsubara expansion of imaginary--time correlation functions comprises an exact result of linear response theory for finite-temperature quantum many-body systems. In its density--density version, the expansion facilitates systematic comparisons between quasi-exact ab initio path integral Monte Carlo simulations and approximate dielectric formalism schemes at the level of the imaginary--time (density--density) correlation functions and the dynamic Matsubara local field corrections. On this theoretical basis, the dynamic properties of the quantum version of the Singwi--Tosi--Land--Sjölander scheme are analyzed for the paramagnetic warm dense uniform electron gas. The marginal improvement compared to the semi-classical version of the Singwi--Tosi--Land--Sjölander scheme is attributed to the weak Matsubara order dependence of the approximate dynamic Matsubara local field correction. The evaluation of the ideal density response function at the non-interacting occupation numbers is identified to constitute a general deficiency of the dielectric formalism, which calls for a reformulation in future works.

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