# Matthew Foulkes

Faculty of Natural SciencesDepartment of Physics

Professor of Physics

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### Contact

+44 (0)20 7594 7607wmc.foulkes

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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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# 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  - JOURAB  - 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,SAU  - Dornheim,TAU  - Sjostrom,TAU  - Malone,FDAU  - Foulkes,WMCAU  - Bonitz,MDO  - 10.1103/PhysRevLett.119.135001PY  - 2017///SN  - 0031-9007TI  - Ab initio exchange-correlation free energy of the uniform electron gas at warm dense matter conditionsT2  - Physical Review LettersUR  - http://dx.doi.org/10.1103/PhysRevLett.119.135001UR  - http://arxiv.org/abs/1703.08074v1UR  - http://hdl.handle.net/10044/1/53350VL  - 119ER  -