超越随机相位近似的关联能：应用于球形原子和离子的ISTLS
Correlation energies beyond the random-phase approximation: ISTLS applied to spherical atoms and ions
摘要：
Dobson、Wang和Gould [PRB { \bf 66} 081108（R）（2008）]的非均匀Singwi、Tosi、Land和Sjolander（ISTLS）相关能量泛函已被证明在预测半均匀系统中的相关能量方面是出色的，通过使用动态相关性来超越直接随机的限制，显示出作为鲁棒的“下一步”第五级功能的希望，相位近似（dRPA），但具有类似的数值缩放系统的大小。本文对14个球对称、中性和带电原子系统进行了测试，发现它对中性原子的绝对相关能给出了很好的结果（除Be外在2 mHa/ $e^-$以内），对离子的绝对相关能给出了很好的结果（在4 mHa/ $e^-$以内）。在所有情况下，它的性能都优于dRPA。当与以前的成功相结合，这些新的结果指向的ISTLS功能是一个主要的竞争者高精度，基准DFT相关能量计算。
英文摘要：
The inhomogeneous Singwi, Tosi, Land and Sjolander (ISTLS) correlation energy functional of Dobson, Wang and Gould [PRB {\bf 66} 081108(R) (2008)] has proved to be excellent at predicting correlation energies in semi-homogeneous systems, showing promise as a robust `next step' fifth-rung functional by using dynamic correlation to go beyond the limitations of the direct random-phase approximation (dRPA), but with similar numerical scaling with system size. In this work we test the functional on fourteen spherically symmetric, neutral and charged atomic systems and find it gives excellent results (within 2mHa/$e^-$ except Be) for the absolute correlation energies of the neutral atoms tested, and good results for the ions (within 4mHa/$e^-$). In all cases it performs better than the dRPA. When combined with the previous successes, these new results point to the ISTLS functional being a prime contender for high-accuracy, benchmark DFT correlation energy calculations.
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