论文标题

任意维度的均质电子液体:使用Singwi-Tosi-Land-Sjölander方法交换和相关性

Homogeneous Electron Liquid in Arbitrary Dimensions: Exchange and Correlation Using the Singwi-Tosi-Land-Sjölander Approach

论文作者

Pham, L. V. Duc, Sattler, Pascal, Marques, Miguel A. L., Benavides-Riveros, Carlos L.

论文摘要

均质电子气体和均质电子液体的基态是量子物理和化学中的基石。它们是在缓慢变化的密度方面的原型系统,可以用无数方法估算交换相关能量。对于高密度,能量的行为是1、2和3维的众所周知的。在这里,我们使用Singwi,Tosi,Tosi,Land和Sjölander(Sjölander(STLS)开发的著名方法(RPA),将该模型扩展到任意整数维度,并计算其相关能量超出随机阶段近似(RPA)(RPA),这在整个电子密度响应中都非常准确,以$ 2D $和$ 3D $ $ 3D $ 3D和FOMNN和FAMNN和FAMNN NOTAIN和FAMERN NONDENTINCTINCTION。对于更高的维度,我们将使用STLS方法获得的相关能量获得的结果与先前使用RPA获得的值进行比较。我们发现,在高维度下,Stls倾向于更加物理,因为该理论可以更好地满足臭名昭著的总规则。我们进一步说明了等离子体对STLS理论的重要性。

The ground states of the homogeneous electron gas and the homogeneous electron liquid are cornerstones in quantum physics and chemistry. They are archetypal systems in the regime of slowly varying densities in which the exchange-correlation energy can be estimated with a myriad of methods. For high densities, the behavior of the energy is well-known for 1, 2, and 3 dimensions. Here, we extend this model to arbitrary integer dimensions, and compute its correlation energy beyond the random phase approximation (RPA), using the celebrated approach developed by Singwi, Tosi, Land, and Sjölander (STLS), which is known to be remarkably accurate in the description of the full electronic density response for $2D$ and $3D$, both in the paramagnetic and ferromagnetic ground states. For higher dimensions, we compare the results obtained for the correlation energy using the STLS method with the values previously obtained using RPA. We found that at high dimensions STLS tends to be more physical in the sense that the infamous sum rules are better satisfied by the theory. We furthermore illustrate the importance of the plasmon contribution to STLS theory.

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