Simon Groth
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View article: Fermionic physics from<i>ab initio</i>path integral Monte Carlo simulations of fictitious identical particles
Fermionic physics from<i>ab initio</i>path integral Monte Carlo simulations of fictitious identical particles Open
The ab initio path integral Monte Carlo (PIMC) method is one of the most successful methods in statistical physics, quantum chemistry and related fields, but its application to quantum degenerate Fermi systems is severely hampered by an ex…
View article: Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles Open
The \emph{ab initio} path integral Monte Carlo (PIMC) method is one of the most successful methods in statistical physics, quantum chemistry and related fields, but its application to quantum degenerate Fermi systems is severely hampered b…
View article: PIMC data for the uniform electron gas in the high energy density regime
PIMC data for the uniform electron gas in the high energy density regime Open
PIMC data for the static density response obtained by Dornheim et al. (Plasma Phys. Control. Fusion, https://doi.org/10.1088/1361-6587/ab8bb4). These data can be freely used by other researchers and contain a README file with additional in…
View article: Permutation blocking path integral Monte Carlo simulations of degenerate electrons at finite temperature
Permutation blocking path integral Monte Carlo simulations of degenerate electrons at finite temperature Open
We analyse the simulation of strongly degenerate electrons at finite temperature using the recently introduced permutation blocking path integral Monte Carlo (PB‐PIMC) method [T. Dornheim et al., New J. Phys . 17 , 073017 (2015)]. As a rep…
View article: Ab initio results for the static structure factor of the warm dense electron gas
Ab initio results for the static structure factor of the warm dense electron gas Open
The uniform electron gas at finite temperature is of high current interest for warm dense matter research. The complicated interplay of quantum degeneracy and Coulomb coupling effects is fully contained in the pair distribution function or…
View article: Configuration path integral Monte Carlo approach to the static density response of the warm dense electron gas
Configuration path integral Monte Carlo approach to the static density response of the warm dense electron gas Open
Precise knowledge of the static density response function (SDRF) of the uniform electron gas serves as key input for numerous applications, most importantly for density functional theory beyond generalized gradient approximations. Here we …
View article: <i>Ab initio</i> Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions
<i>Ab initio</i> Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions Open
In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 117, 156403 (2016)PRLTAO0031-900710.1103/PhysRevLett.117.156403], we presented the first quantum Monte Carlo (QMC) results for the warm dense electron gas in the thermodynamic limit.…
View article: Permutation-blocking path-integral Monte Carlo approach to the static density response of the warm dense electron gas
Permutation-blocking path-integral Monte Carlo approach to the static density response of the warm dense electron gas Open
The static density response of the uniform electron gas is of fundamental importance for numerous applications. Here we employ the recently developed ab initio permutation blocking path integral Monte Carlo (PB-PIMC) technique [T. Dornheim…
View article: <i>Ab initio</i> quantum Monte Carlo simulation of the warm dense electron gas
<i>Ab initio</i> quantum Monte Carlo simulation of the warm dense electron gas Open
Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects and for novel laboratory experiments in which matter is being strongly compressed, e.g., by high-power lasers. Its…
View article: Free energy of the uniform electron gas: Testing analytical models against first‐principles results
Free energy of the uniform electron gas: Testing analytical models against first‐principles results Open
The uniform electron gas is a key model system in the description of matter, including dense plasmas and solid‐state systems. However, the simultaneous occurrence of quantum, correlation, and thermal effects makes the theoretical descripti…
View article: <i>Ab Initio</i>Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit
<i>Ab Initio</i>Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit Open
We perform ab initio quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with the linear response theory, we are able to remove finite-size errors from the potentia…
View article: Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions
Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions Open
Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate no…