期刊
THEORETICAL CHEMISTRY ACCOUNTS
卷 112, 期 5-6, 页码 453-459出版社
SPRINGER
DOI: 10.1007/s00214-004-0615-y
关键词
electron localizability indicator; configuration interaction; electron localization function
The electron localizability indicator (ELI) is based on a functional of the same-spin pair density. It reflects the correlation of the motion of same-spin electrons. In the Hartree-Fock approximation the ELI can be related to the electron localization function (ELF). For correlated wavefunctions the ELI formula differs from the one for the ELF.
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