Hartree-Fock energy of a finite two-dimensional electron gas system in a jellium background
Hartree-Fock energy of a finite two-dimensional electron gas system in a jellium background
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DOI：
10.1016/j.physb.2014.11.019
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发表时间：
2015-02-01
影响因子：
2.8
通讯作者：
Ciftja, Orion
中科院分区：
文献类型：
--
作者：
Ciftja, Orion
本文采用Hartree-Fock方法计算了有限二维电子气系统的能量，该系统被限制在一个被视为正的结耳磁背景的区域内。电子被认为是完全自旋极化的（无自旋），并与库仑势相互作用。计算有限正方形介电畴中电子的精确势能是非常具有挑战性的，因为数学表达式取决于粒子位置的每个分量，而不是距畴中心的径向距离。为了解决这个问题，我们引入了一个近似的问题。我们评估这种近似的质量和讨论的情况下，它的使用不仅是可取的，但也相当准确。结果给出了一个正确的图片的有限系统的能量如何演变的体积值作为系统的大小增加。(C)2014爱思唯尔版权所有。
We adopt a Hartree-Fock approach and calculate the energy of a finite two-dimensional electron gas system confined to a region that is treated as a positive jellium background. The electrons are considered fully spin-polarized (spinless) and interact with a Coulomb potential. The calculation of the exact potential energy of electrons in a finite square jellium domain is very challenging since the mathematical expressions depend on each component of particle's position and not the radial distance from the center of the domain. In order to address this issue we introduce an approximation to the problem. We assess the quality of this approximation and discuss instances where its use is not only desirable, but also fairly accurate. The results give a correct picture of how the energy of the finite system evolves towards the bulk value as the size of the system increases. (C) 2014 Elsevier By All rights reserved.