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Second roton feature in the strongly coupled electron liquid

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arxiv 2505.11150 v1 pith:T7FMBCMC submitted 2025-05-16 physics.chem-ph cond-mat.quant-gascond-mat.str-el

classification physics.chem-phcond-mat.quant-gascond-mat.str-el
keywords secondelectronfeaturepimcresultsrotoncoupleddynamic
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

We present extensive \emph{ab initio} path integral Monte Carlo (PIMC) results for the dynamic properties of the finite temperature uniform electron gas (UEG) over a broad range of densities, $2\leq r_s\leq300$. We demonstrate that the direct analysis of the imaginary-time density--density correlation function (ITCF) allows for a rigorous assessment of the density and temperature dependence of the previously reported roton-type feature [T.~Dornheim, \emph{Phys.~Rev.~Lett.}~\textbf{121}, 255001 (2018)] at intermediate wavenumbers. We clearly resolve the emergence of a second roton at the second harmonic of the original feature for $r_s\gtrsim100$, which we identify as an incipient phonon dispersion. Finally, we use our highly accurate PIMC results for the ITCF as the basis for an analytic continuation to compute the dynamic structure factor, which additionally substantiates the existence of the second roton in the strongly coupled electron liquid. Our investigation further elucidates the complex interplay between quantum delocalization and Coulomb coupling in the UEG. All PIMC results are freely available online and provide valuable benchmarks for other theoretical methodologies and approximations.

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