Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids
Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids
Tolias, P.; Lucco Castello, F.; Dornheim, T.
A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. The self-consistent scheme features a complicated dynamic local field correction functional and its formulation is guided by ab initio path integral Monte Carlo simulations. Remarkably, our scheme is capable to provide unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.
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Journal of Chemical Physics 158(2023), 141102
DOI: 10.1063/5.0145687
Cited 8 times in Scopus
Permalink: https://www.hzdr.de/publications/Publ-36537