GW近似下凝胶的介电函数和热力学性质
Dielectric function and thermodynamic properties of jellium in the GW approximation
摘要：
完全自洽GW近似是电子结构计算的一种既定方法。其最严重的缺陷是已知的是一个不正确的预测的介电响应。在这项工作中，我们研究了GW近似的均匀电子气，并发现问题的介电响应的解决，通过执行粒子数守恒定律的极化函数。以前报道的基态能量数据明显相互矛盾，远远超出了报道的误差范围。其中一些结果造成了一个错误的印象，如何准确的完全自洽GW近似。我们通过确认只有参考文献[15]报告了正确的能量数据来解决这一争议，并给出了其他关键费米液体性质的值。
英文摘要：
The fully self-consistent GW approximation is an established method for electronic structure calculations. Its most serious deficiency is known to be an incorrect prediction of the dielectric response. In this work we examine the GW approximation for the homogeneous electron gas and find that problems with the dielectric response are solved by enforcing the particle-number conservation law in the polarization function. Previously reported data for the ground-state energy were plainly contradicting each other well outside of reported error bounds. Some of these results created a false impression of how accurate the fully self-consistent GW approximation is. We resolve this controversy by confirming that only Ref. [15] was reporting correct energy data, and present values for other key Fermi-liquid properties.
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