Ab initio Density Response and Local Field Factor of Warm Dense Hydrogen
arxiv(2024)
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 with earlier
incomplete models such as the archetypal uniform electron gas [Phys. Rev. Lett.
125, 235001 (2020)] or electrons in a fixed ion snapshot potential [Phys. Rev.
Lett. 129, 066402 (2022)] 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 (XRTS)
experiments with hydrogen jets and fusion plasmas. All PIMC results are made
freely available and can directly be used for a gamut of applications,
including inertial confinement fusion calculations and the modelling 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.
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