Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid

Abstract

The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermodynamic derivative error. The VS scheme handles quantum mechanical effects at the level of the random phase approximation and treats correlations via the density expansion of a generalized Singwi-Tosi-Land-Sjölander (STLS) closure that inserts a parameter determined by enforcing the compressibility sum rule. Systematic comparison with quasi-exact results, based on quantum Monte Carlo simulations, reveals a structural superiority of the VS scheme towards strong coupling and a thermodynamic superiority of the STLS scheme courtesy of a favorable cancellation of errors. Guidelines are provided for the construction of dielectric schemes that are expected to be more accurate but computationally costly.

24 pages, 16 figures, 2 tables

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Cited by in corpus (4)

• From Density Response to Energy Functionals and Back: An ab initio perspective on Matter Under Extreme Conditions
• Fourier-Matsubara series expansion for imaginary-time correlation functions
• On the density-density correlations of the non-interacting finite temperature electron gas
• Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme