Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme
arXiv:2411.04904 · doi:10.1002/ctpp.70014
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 \emph{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.
arXiv comment26 pages, 4 figures
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