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- W1907129013 abstract "An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral Monte-Carlo (RPIMC) data. This parametrization constitutes the local spin density approximation (LSDA) for the exchange-correlation functional in density functional theory. The new finite-temperature LSDA reproduces the RPIMC data well, satisfies the correct high-density and low- and high-$T$ asymptotic limits, and is well-behaved beyond the range of the RPIMC data, suggestive of broad utility." @default.
- W1907129013 created "2016-06-24" @default.
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- W1907129013 date "2014-02-20" @default.
- W1907129013 modified "2023-10-14" @default.
- W1907129013 title "Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations" @default.
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- W1907129013 doi "https://doi.org/10.1103/physrevlett.112.076403" @default.
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