Imperial College London

Matthew Foulkes

Faculty of Natural SciencesDepartment of Physics

Professor of Physics
 
 
 
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Contact

 

+44 (0)20 7594 7607wmc.foulkes Website

 
 
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Assistant

 

Mrs Carolyn Dale +44 (0)20 7594 7579

 
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Location

 

810Blackett LaboratorySouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Dornheim:2016:10.1103/PhysRevLett.117.156403,
author = {Dornheim, T and Groth, S and Sjostrom, T and Malone, FD and Foulkes, WMC and Bonitz, M},
doi = {10.1103/PhysRevLett.117.156403},
journal = {Physical Review Letters},
title = {Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit},
url = {http://dx.doi.org/10.1103/PhysRevLett.117.156403},
volume = {117},
year = {2016}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - We perform ab initio quantum Monte Carlo (QMC) simulations of the warm dense uniform electrongas in the thermodynamic limit. By combining QMC data with linear response theory we are able toremove finite-size errors from the potential energy over the entire warm dense regime, overcoming thedeficiencies of the existing finite-size corrections by Brown et al. [PRL 110, 146405 (2013)]. Extensivenew QMC results for up to N = 1000 electrons enable us to compute the potential energy V and theexchange-correlation free energy Fxc of the macroscopic electron gas with an unprecedented accuracyof |V |/|V |, |Fxc|/|F|xc ∼ 10−3. A comparison of our new data to the recent parametrization ofFxc by Karasiev et al. [PRL 112, 076403 (2014)] reveals significant deviations to the latter.
AU - Dornheim,T
AU - Groth,S
AU - Sjostrom,T
AU - Malone,FD
AU - Foulkes,WMC
AU - Bonitz,M
DO - 10.1103/PhysRevLett.117.156403
PY - 2016///
SN - 1079-7114
TI - Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit
T2 - Physical Review Letters
UR - http://dx.doi.org/10.1103/PhysRevLett.117.156403
UR - https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.156403
UR - http://hdl.handle.net/10044/1/40277
VL - 117
ER -