文章基本信息

标题：Thomas-Fermi theory for atomic systems
本地全文：下载
作者：Robert G. Parr ; Swapan K. Ghosh
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：1986
卷号：83
期号：11
页码：3577-3579
DOI：10.1073/pnas.83.11.3577
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：The classical Thomas-Fermi theory of the electrons in an atom is amended in a manner that produces continuity of the electron density {rho}. This is done by imposing the constraint that [esh]e-2kr [unk]2 {rho} dr should be finite, with k determined by the nuclear cusp condition, followed or preceded by an optimum coordinate scaling. Electron densities and total energies are shown to be vastly improved.
关键词：electronic structure ; statistical model ; density functional theory