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Ab initio density response and local field factor of warm dense hydrogen
Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany; Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-01328 Dresden, Germany.
Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany; Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-01328 Dresden, Germany.
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0000-0001-9632-8104
Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany; Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-01328 Dresden, Germany; Technische Universität Dresden, D-01062 Dresden, Germany.
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2024 (English)In: Matter and Radiation at Extremes, ISSN 2468-2047, Vol. 9, no 5, article id 057401Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
AIP Publishing , 2024. Vol. 9, no 5, article id 057401
National Category
Fusion, Plasma and Space Physics
Identifiers
URN: urn:nbn:se:kth:diva-351737DOI: 10.1063/5.0211407ISI: 001278240800001Scopus ID: 2-s2.0-85199699243OAI: oai:DiVA.org:kth-351737DiVA, id: diva2:1888704
Note

QC 20240814

Available from: 2024-08-13 Created: 2024-08-13 Last updated: 2024-08-27Bibliographically approved

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Tolias, Panagiotis

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