Many-body GW calculations of ground-state properties: quasi-2D electron systems and van der Waals forces.
Many-body GW calculations of ground-state properties: quasi-2D electron systems and van der Waals forces.
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基态特性的多体引力波计算：准二维电子系统和范德华力。
DOI：
10.1103/physrevlett.88.056406
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发表时间：
2001
影响因子：
8.6
通讯作者：
R. Godby
中科院分区：
文献类型：
--
作者：
P. García;R. Godby
我们提出了两个简单但非常不同的非齐次系统族的基态特性的引力波多体结果，其中密度泛函理论（DFT）的传统实现彻底失败。在类似的计算成本下，GW 方法比众所周知的随机相位近似给出了明显更好的结果。这些结果确立了 GW 作为标准 DFT 方案的优越替代方案，而无需量子蒙特卡罗模拟所需的昂贵的数值工作。
We present GW many-body results for ground-state properties of two simple but very distinct families of inhomogeneous systems in which traditional implementations of density-functional theory (DFT) fail drastically. The GW approach gives notably better results than the well-known random-phase approximation, at a similar computational cost. These results establish GW as a superior alternative to standard DFT schemes without the expensive numerical effort required by quantum Monte Carlo simulations.