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Ab initio density response and local field factor of warm dense hydrogenOA

中文摘要

We present quasi-exact ab initio path integral Monte Carlo(PIMC)results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime,from solid density conditions to the strongly compressed case.The full dynamic treatment of electrons and protons on the same footing allows us to rigorously quantify both electronic and ionic exchange–correlation effects in the system,and to compare the results with those of earlier incomplete models such as the archetypal uniform electron gas or electrons in a fixed ion snapshot potential that do not take into account the interplay between the two constituents.The full electronic density response is highly sensitive to electronic localization around the ions,and our results constitute unambiguous predictions for upcoming X-ray Thomson scattering experiments with hydrogen jets and fusion plasmas.All PIMC results are made freely available and can be used directly for a gamut of applications,including inertial confinement fusion calculations and the modeling of dense astrophysical objects.Moreover,they constitute invaluable benchmark data for approximate but computationally less demanding approaches such as density functional theory or PIMC within the fixed-node approximation.

Tobias Dornheim;Sebastian Schwalbe;Panagiotis Tolias;Maximilian P.Böhme;Zhandos A.Moldabekov;Jan Vorberger;

Center for Advanced Systems Understanding(CASUS),D-02826 Görlitz,Germany Helmholtz-Zentrum Dresden-Rossendorf(HZDR),D-01328 Dresden,GermanySpace and Plasma Physics,Royal Institute of Technology(KTH),Stockholm SE-10044,SwedenCenter for Advanced Systems Understanding(CASUS),D-02826 Görlitz,Germany Helmholtz-Zentrum Dresden-Rossendorf(HZDR),D-01328 Dresden,Germany Technische Universität Dresden,D-01062 Dresden,GermanyHelmholtz-Zentrum Dresden-Rossendorf(HZDR),D-01328 Dresden,Germany

物理学

localincompleterigorous

《Matter and Radiation at Extremes》 2024 (005)

P.48-67 / 20

supported by the Center for Advanced Systems Understanding(CASUS),financed by Germany’s Federal Ministry of Education and Research(BMBF)and the Saxon State Government out of the State Budget approved by the Saxon State Parliament;funding from the European Research Council(ERC)under the European Union’s Horizon 2022 Research and Innovation Program(Grant Agreement No.101076233,“PREXTREME”).

10.1063/5.0211407

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