均匀电子气体。II。一维广义局域密度近似
Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension
摘要：
我们介绍了一个推广（gLDA）的传统局域密度近似（LDA）的密度泛函理论。gLDA在空间中的每个点处使用单电子塞茨半径$\rs$和双电子空穴曲率参数$η$。的gLDA减少到LDA时，应用到无限均匀的电子气，但与LDA，也是准确的有限均匀的电子气体的球体。我们提出了一个明确的gLDA功能的相关能量的电子被限制在一个一维空间，并比较其精度与LDA，二阶和三阶Møller-Plesset扰动能量和精确计算各种非均匀系统。
英文摘要：
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $η$ at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, is is also exact for finite uniform electron gases on spheres. We present an explicit gLDA functional for the correlation energy of electrons that are confined to a one-dimensional space and compare its accuracy with LDA, second- and third-order Møller-Plesset perturbation energies and exact calculations for a variety of inhomogeneous systems.
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