Ground-state correlation energies for two- to ten-electron atomic ions.
Ground-state correlation energies for two- to ten-electron atomic ions.
复制标题
DOI：
10.1103/physreva.44.7071
复制
发表时间：
1991-12
期刊：
影响因子：
--
通讯作者：
Ernest R. Davidson;S. Hagstrom;S. Chakravorty;V. M. Umar;C. F. Fischer
中科院分区：
文献类型：
--
作者：
Ernest R. Davidson;S. Hagstrom;S. Chakravorty;V. M. Umar;C. F. Fischer
结合实验数据和改进的ITAL ab ITAL INITIO计算，得到了基态原子离子（3 ~ 10个电子，ITAL Z ≤ 20）的非相对论定态核相关能的改进估计.与以前在这方面的工作不同，我们专注于个人电离能的相关贡献，通过比较实验数据与相对论完全价空间Hartree-Fock能量计算。
Improved estimates of the nonrelativistic stationary nucleus correlation energies of the ground-state atomic ions with three to ten electrons and {ital Z} up to 20 are derived by combining experimental data and improved {ital ab} {ital initio} calculations. Unlike previous work in this area, we focus on the correlation contribution to individual ionization energies, computed by comparing experimental data with relativistic complete-valence-space Hartree-Fock energies.