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{Groth:2017:10.1103/PhysRevLett.119.135001,
author = {Groth, S and Dornheim, T and Sjostrom, T and Malone, FD and Foulkes, WMC and Bonitz, M},
doi = {10.1103/PhysRevLett.119.135001},
journal = {Physical Review Letters},
title = {Ab initio exchange-correlation free energy of the uniform electron gas at warm dense matter conditions},
url = {http://dx.doi.org/10.1103/PhysRevLett.119.135001},
volume = {119},
year = {2017}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - In a recent Letter [T.~Dornheim \textit{et al.}, Phys. Rev. Lett.\textbf{117}, 156403 (2016)], we presented the first \textit{ab initio} quantumMonte-Carlo (QMC) results of the warm dense electron gas in the thermodynamiclimit. However, a complete parametrization of the exchange-correlation freeenergy with respect to density, temperature, and spin polarization remained outof reach due to the absence of (i) accurate QMC results below$\theta=k_\text{B}T/E_\text{F}=0.5$ and (ii) of QMC results for spinpolarizations different from the paramagnetic case. Here we overcome bothremaining limitations. By closing the gap to the ground state and by performingextensive QMC simulations for different spin polarizations, we are able toobtain the first complete \textit{ab initio} exchange-correlation free energyfunctional; the accuracy achieved is an unprecedented $\sim 0.3\%$. This alsoallows us to quantify the accuracy and systematic errors of various previousapproximate functionals.
AU - Groth,S
AU - Dornheim,T
AU - Sjostrom,T
AU - Malone,FD
AU - Foulkes,WMC
AU - Bonitz,M
DO - 10.1103/PhysRevLett.119.135001
PY - 2017///
SN - 0031-9007
TI - Ab initio exchange-correlation free energy of the uniform electron gas at warm dense matter conditions
T2 - Physical Review Letters
UR - http://dx.doi.org/10.1103/PhysRevLett.119.135001
UR - http://arxiv.org/abs/1703.08074v1
UR - http://hdl.handle.net/10044/1/53350
VL - 119
ER -