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Exact 'exact exchange' potential of two- and one-dimensional electron gases beyond the asymptotic limit

机译:二维和一维电子的精确“精确交换”潜力   超过渐近极限的气体

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摘要

The exchange-correlation potential experienced by an electron in the freespace adjacent to a solid surface or to a low-dimensional system defines thefundamental image states and is generally important in surface- andnano-science. Here we determine the potential near the two- and one-dimensionalelectron gases (EG), doing this analytically at the level of the exact exchangeof the density-functional theory (DFT). We find that, at $r_\perp\gg k_F^{-1}$,where $r_\perp$ is the distance from the EG and $k_F$ is the Fermi radius, thepotential obeys the already known asymptotic $-e^2/r_\perp$, while at $r_\perp\lesssim k_F^{-1}$, but {\em still in vacuum}, qualitative and quantitativedeviations of the exchange potential from the asymptotic law occur. Theplayground of the excitations to the low-lying image states falls into thelatter regime, causing significant departure from the Rydberg series. Ingeneral, our analytical exchange potentials establish benchmarks for numericalapproaches in the low-dimensional science, where DFT is by far the most commontool.
机译:电子在与固体表面或低维系统相邻的自由空间中所经历的交换相关势定义了基本的像态,并且在表面和纳米科学中通常很重要。在这里,我们确定二维和一维电子气体(EG)附近的电势,并在密度泛函理论(DFT)的精确交换一级进行分析。我们发现,在$ r_ \ perp \ gg k_F ^ {-1} $处,其中$ r_ \ perp $是距EG的距离,而$ k_F $是费米半径,该势能服从已知的渐近$ -e ^ 2 / r_ \ perp $,而在$ r_ \ perp \ lesssim k_F ^ {-1} $处,但{\ em仍处于真空状态},交换势因渐近定律而发生定性和定量偏离。激发低层像态的运动场落入了后一种状态,从而大大偏离了里德伯格级数。通常,我们的分析交换潜力为低维科学中的数值方法建立了基准,而DFT是迄今为止最常用的工具。

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    Nazarov, V. U.;

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