期刊
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 762, 期 1-3, 页码 139-145出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2005.07.033
关键词
density functional theory; correlation energy; electron gas
A new correlation functional derived recently within the Kohn-Sham density functional theory is used to obtain a compact analytic representation of the correlation energy of the uniform electron gas. For spin-compensated electron gas the obtained results have mean absolute percentage deviation of 0.38% from the best literature estimates in the density range 0.1 <= r(s) <= 20.The bias in the literature benchmarks for the spin components of the correlation energy is discussed. (c) 2005 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据