13 citations · 25 across the 6 of their papers we have counts for
8 papers
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…
Kinetic energy from the cubic sum rule of the dynamic structure factor
Fotios Kalkavouras, Panagiotis Tolias, Sebastian Schwalbe +6
The third frequency moment sum rule of the dynamic structure factor is explored for the first time as an alternative estimator of the kinetic energy of quantu…
Dielectric formalism of the 2D uniform electron gas at finite temperatures
Fotios Kalkavouras, Tobias Dornheim, Paul Hamann +1
We present a comprehensive analysis of the two-dimensional uniform electron gas (2D-UEG or more commonly 2DEG) at finite temperature, spanning a broad range of densities / coupling…
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
Pontus Svensson, Fotios Kalkavouras, Uwe Hernandez Acosta +4
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system wh…
Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme
Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim +1
The recently derived Fourier--Matsubara expansion of imaginary--time correlation functions comprises an exact result of linear response theory for finite-temperature quantum many-b…
Dynamic exchange-correlation effects in the strongly coupled electron liquid
Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras +2
We present the first quasi-exact \textit{ab initio} path integral Monte Carlo (PIMC) results for the dynamic local field correction in the ima…