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Ab initio path integral Monte Carlo study of the 2D uniform electron liquid at finite temperatures
Tobias Dornheim, Fotios Kalkavouras, Paul Hamann +3
We present extensive \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the two-dimensional uniform electron gas (2DEG), covering a broad range of density parameters…
Ab initio path-integral Monte Carlo results for the one-particle spectral function of the warm dense electron gas
Paul Hamann, Michael Bonitz, Jan Vorberger +1
We present quasi-exact \emph{ab initio} path-integral Monte Carlo results for the Matsubara Green's function of the uniform electron gas (UEG) at finite temperature over a broad ra…
Kinetic contribution to the arbitrary order odd frequency moments of the dynamic structure factor
Panagiotis Tolias, Tobias Dornheim, Jan Vorberger
An exact expression is derived for the kinetic contribution to the odd (arbitrary order) frequency moments of the dynamic structure factor via a finite summation that features aver…
Fermionic free energies from \textit{ab initio} path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Zhandos Moldabekov, Sebastian Schwalbe +2
We combine the recent ensemble path integral Monte Carlo (PIMC) approach to the free energy [T.~Dornheim \textit{et al.}, \textit{Phys.~Rev.~B} \textbf{111}, L041114 (2025)] wi…
Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter
Tobias Dornheim, Zhandos Moldabekov, Sebastian Schwalbe +1
We carry out highly accurate \emph{ab initio} path integral Monte Carlo (PIMC) simulations to directly estimate the free energy of various warm dense matter systems including the u…
Unravelling the nonlinear ideal density response of many-body systems
Panagiotis Tolias, Tobias Dornheim, Zhandos A. Moldabekov +1
Nonlinear density response theory is revisited focusing on the harmonically perturbed finite temperature uniform electron gas. Within the non-interacting limit, brute force quantum…