NOTE ON THE FERMI-AMALDI CORRECTION FOR THE THOMAS-FERMI THEORY OF ATOMS

被引：10

作者：

CSAVINSZKY, P

机构：

[1] Department of Physics, University of Southern California, Los Angeles, California

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1979年 / 15卷 / 05期

关键词：

D O I：

10.1002/qua.560150507

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The aim of this note is to ascertain the importance of the Fermi–Amaldi (FA) correction for the Thomas–Fermi (TF) theory of atoms. For this purpose, an analytic trial electron density has been chosen and the Thomas–Fermi–Amaldi (TFA) energy expression has been minimized by the Ritz method for the closed‐shell atoms Ne, Ar, Kr, Xe, and Rn. The variationally obtained electron densities have then been used for calculating the diamagnetic susceptibilities of these atoms. The calculated values show only a very small improvement over values calculated by Jensen by an analogous procedure from the TF energy expression. Copyright © 1979 John Wiley & Sons, Inc.

引用

页码：511 / 515

页数：5