论文标题
从插值安萨兹（Ansatz
Accurate Correlation Energy Functional for Uniform Electron Gas from an Interpolation Ansatz without Fitting Parameters
论文作者
论文摘要
我们报告了均匀电子气体（UEG）的相关能量EC（RS，ZETA）的分析表示，其中RS是Seitz半径或密度参数，而Zeta是相对自旋极化。构建了称为W20的新功能，以捕获无拟合参数的已知高密度和低密度极限（对于Zeta = 0和1）。针对最近的量子蒙特卡洛（QMC）结果的比较评估表明，W20功能的性能与流行的参数化UEG相关功能相当。平均而言，W20同意QMC和PW92 [Phys。 Rev. B 45，13244（1992）]在0.01 eV中，W20恢复了正确的高密度和低密度限制，而QMC-DATA拟合的UEG相关功能则没有。
We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is the Seitz radius or density parameter and zeta is the relative spin polarization. The new functional, called W20, is constructed to capture the known high-density and low-density limit (for zeta = 0 and 1) without any fitting parameters. The comparative assessment against the recent quantum Monte Carlo (QMC) results shows that the performance of the W20 functional is comparable to the popular parametrized UEG correlation functionals. On average, W20 agrees with QMC and PW92 [Phys. Rev. B 45, 13244 (1992)] within 0.01 eV, and W20 recovers the correct high- and low-density limits, whereas the QMC-data fitted UEG correlation functionals do not.
