The uniform electron gas at warm dense matter conditions

T Dornheim, S Groth, M Bonitz - Physics Reports, 2018 - Elsevier
Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …

[HTML][HTML] Electronic density response of warm dense matter

T Dornheim, ZA Moldabekov, K Ramakrishna… - Physics of …, 2023 - pubs.aip.org
Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …

Analysing the dynamic structure of warm dense matter in the imaginary-time domain: Theoretical models and simulations

T Dornheim, J Vorberger… - … Transactions of the …, 2023 - royalsocietypublishing.org
Rigorous diagnostics of experiments with warm dense matter are notoriously difficult. A key
method is X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is …

Path integral Monte Carlo ground state approach: formalism, implementation, and applications

Y Yan, D Blume - Journal of Physics B: Atomic, Molecular and …, 2017 - iopscience.iop.org
Monte Carlo techniques have played an important role in understanding strongly correlated
systems across many areas of physics, covering a wide range of energy and length scales …

Spin-resolved density response of the warm dense electron gas

T Dornheim, J Vorberger, ZA Moldabekov… - Physical Review …, 2022 - APS
We present extensive ab initio path integral Monte Carlo (PIMC) results for the spin-resolved
density response of the uniform electron gas at warm dense matter conditions. This allows …

[HTML][HTML] Integral equation theory based dielectric scheme for strongly coupled electron liquids

P Tolias, F Lucco Castello, T Dornheim - The Journal of Chemical …, 2021 - pubs.aip.org
In a recent paper, Lucco Castello et al.(arXiv: 2107.03537) provided an accurate
parameterization of classical one-component plasma bridge functions that was embedded in …

[HTML][HTML] Energy response and spatial alignment of the perturbed electron gas

T Dornheim, P Tolias, ZA Moldabekov… - The Journal of Chemical …, 2023 - pubs.aip.org
We study the linear energy response of the uniform electron gas to an external harmonic
perturbation with a focus on resolving different contributions to the total energy. This has …

Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes

A Pérez, ME Tuckerman - The Journal of chemical physics, 2011 - pubs.aip.org
Higher order factorization schemes are developed for path integral molecular dynamics in
order to improve the convergence of estimators for physical observables as a function of the …

Analyzing X-ray Thomson scattering experiments of warm dense matter in the imaginary-time domain: Theoretical models and simulations

T Dornheim, J Vorberger, Z Moldabekov… - arXiv preprint arXiv …, 2022 - arxiv.org
The rigorous diagnostics of experiments with warm dense matter (WDM) is notoriously
difficult. A key method is given by X-ray Thomson scattering (XRTS), but the interpretation of …

Accurate and Fast Estimation of the Continuum Limit in Path Integral Simulations of Quantum Oscillators and Crystals

SG Moustafa - Journal of Chemical Theory and Computation, 2024 - ACS Publications
Convergence of imaginary-time path integral results requires a substantial number of beads
(n) when quantum effects are significant. Traditional Trotter scaling approaches estimate the …