INHOMOGENEOUS ELECTRON GAS
INHOMOGENEOUS ELECTRON GAS
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DOI：
10.1103/physrevb.7.1912
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发表时间：
1964-01-01
影响因子：
3.7
通讯作者：
KOHN, W
中科院分区：
文献类型：
--
作者：
HOHENBERG, P;KOHN, W
这项工作是非均匀电子气的Hohenberg-Kohn-Sham理论的推广，重点是自旋效应。基于量子电动力学的一个论点被用来将相互作用电子系统的基态能量表示为电流密度的泛函。对于四电流密度几乎恒定的气体，根据均匀体系的线性响应函数，导出了关联泛函展开式中出现的系数的表达式。电流密度包含与自旋相关的项，在非相对论极限下，它导致局域势也与自旋有关。该势被应用于铁磁体和自旋密度波反铁磁体中能带的自旋分裂问题。描述了本方法、斯莱特方法和斯通纳铁磁性的集体电子理论之间的关系。
This work is a generalization of the Hohenberg—Kohn—Sham theory of the inhomogeneous electron gas, with emphasis on spin effects. An argument based on quantum electrodynamics is used to express the ground-state energy of a system of interacting electrons as a functional of the current density. Expressions are derived for coefficients appearing in an expansion of the correlation functional in terms of the linear-response functions of the homogeneous system, for a gas of almost constant four-current density. The current density contains a spin-dependent term which leads, in the nonrelativistic limit, to a local potential which is also spin dependent. This potential is applied to the problems of spin splitting of energy bands in ferromagnets and spin-density-wave antiferromagnets. The relations between the present approach, that of Slater, and the collective electron theory of ferromagnetism of Stoner are described.