自旋密度函数理论。八。f(r)的欧拉-拉格朗日方程

Rossen L. Pavlov , Yavor I. Delchev , Alexander I. Kuleff , Jean Maruani
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引用次数: 0

摘要

在上一篇文章中,我们给出了隐含在电荷分布ρ(r)中的多费米子系统自旋多重度的非相对论性能量的欧拉-拉格朗日变分方程,并展示了如何利用轨道局部尺度变换的标量函数f(r)迭代求解该方程,并推导出包括自旋分布σ(r)在内的观测值的最优值。在本文中,我们导出了一个类似的方程,更显式,但也更复杂,总能量表示为f(r)的函数,并比较了不同方法提出的问题。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Théorie de la fonctionnelle de la densité avec spin. VIII. Équation d'Euler-Lagrange pour f(r)

In the previous paper we expressed the Euler-Lagrange variational equation for the non-relativistic energy of spin multiplicities of a multifermionic system, implicit in the charge distribution ρ(r), and showed how to solve it iteratively — and derive optimal values of observables, including the spin distribution σ(r) — through using the scalar function f(r) of the local-scaling transformation of the orbit. In the present paper we derive a similar equation, more explicit but also more complex, for the total energy expressed as a functional of f(r), and compare the problems raised by the different approaches.

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