MULTICONFIGURATION HARTREE-FOCK CALCULATIONS OF ATOMIC PROPERTIES IN LIGHT-ATOMS

Citation
Mr. Godefroid et al., MULTICONFIGURATION HARTREE-FOCK CALCULATIONS OF ATOMIC PROPERTIES IN LIGHT-ATOMS, Physica scripta. T, T65, 1996, pp. 70-83
Citations number
147
Categorie Soggetti
Physics
Journal title
ISSN journal
02811847
Volume
T65
Year of publication
1996
Pages
70 - 83
Database
ISI
SICI code
0281-1847(1996)T65:<70:MHCOAP>2.0.ZU;2-Z
Abstract
The progress achieved over the last few years in variational Multiconf iguration Hartree-Fock and Configuration Interaction calculations is r eviewed. The high level of accuracy which can be reached in the ab ini tio calculation of atomic properties of light systems is illustrated t hrough the results of calculations of isotope shifts, hyperfine struct ures and transition probabilities. The active space method and associa ted restricted active space methods allowing systematic calculations f rom which the accuracy of the studied property can be estimated will b e discussed. We exemplify quality checks through results in small syst ems for which spectroscopic accuracy is often required For transition probabilities, recent progress derived from new algorithm developments allowing independent optimization of the states is emphasized.