GROUND-STATE CORRELATION ENERGIES FOR ATOMIC IONS WITH 3 TO 18 ELECTRONS

Citation
Sj. Chakravorty et al., GROUND-STATE CORRELATION ENERGIES FOR ATOMIC IONS WITH 3 TO 18 ELECTRONS, Physical review. A, 47(5), 1993, pp. 3649-3670
Citations number
63
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
47
Issue
5
Year of publication
1993
Part
A
Pages
3649 - 3670
Database
ISI
SICI code
1050-2947(1993)47:5<3649:GCEFAI>2.0.ZU;2-V
Abstract
Recently Davidson et al. [Phys. Rev. A 44, 7071 (1991)] have estimated nonrelativistic correlation energies and relativistic corrections to ionization potentials for atomic ions with up to 10 electrons. In this work, this approach is extended to atomic ions with 11 to 18 electron s. The correlation energies for 3- to 10-electron atomic ions are also recomputed using more recent experimental and theoretical data. Unlik e other work the method focuses on the correlation contribution to the individual ionization energies which are obtained by comparing experi mental data with relativistic complete-valence-space energies. Ab init io estimates of correlation contributions to the ionization energies w ith extensive configuration-interaction calculations of 3- to 10-elect ron atomic ions with nuclear charge from 4 through 10 and 18, 36, 50, 72, 100, and 144 have been obtained. The correlation energies obtained from some density-functional models are also compared to these correl ation energy data.