From the 1 of 21 linked papers with an AI index.
21 papers
Ab initio path integral Monte Carlo study of the 2D uniform electron liquid at finite temperatures
Tobias Dornheim, Fotios Kalkavouras, Paul Hamann +3
The paper presents extensive ab initio path integral Monte Carlo simulations of the two‑dimensional uniform electron gas over a wide range of densities and temperatures, analyzing…
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 quant…
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…
Reweighting Estimators for Density Response in Path Integral Monte Carlo: Applications to linear, nonlinear and cross-species density response
Pontus Svensson, Thomas Chuna, Jan Vorberger +5
We present density response estimators for Monte Carlo simulations that are based on a reweighting procedure, where the samples of an unperturbed system are used to estimate the pr…
Roadmap for warm dense matter physics
Jan Vorberger, Frank Graziani, David Riley +71
This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter physics. Originating from strongl…
Generalized density functional theory framework for the non-linear density response of quantum many-body systems
Zhandos A. Moldabekov, Cheng Ma, Xuecheng Shao +5
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum man…