ELECTRON CORRELATION IN MOMENTUM-SPACE FOR THE NEON-ATOM ISOELECTRONIC SEQUENCE FROM F- THROUGH AR8+

Citation
An. Tripathi et al., ELECTRON CORRELATION IN MOMENTUM-SPACE FOR THE NEON-ATOM ISOELECTRONIC SEQUENCE FROM F- THROUGH AR8+, Physical review. A, 54(3), 1996, pp. 1877-1883
Citations number
40
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
54
Issue
3
Year of publication
1996
Pages
1877 - 1883
Database
ISI
SICI code
1050-2947(1996)54:3<1877:ECIMFT>2.0.ZU;2-F
Abstract
Accurate momentum-space properties for the neon-atom isoelectronic seq uence from F- through Ar8+ are calculated from highly accurate configu ration-interaction wave functions that were constructed according to a density convergence criteria. These results should provide a benchmar k to which calculations of momentum-space properties derived from othe r methods may be compared. Our results show that the inclusion of elec tron correlation has a smaller effect on these properties for the Ne s equence than on other isoelectronic sequences. The entropy sum is obse rved to increase with the inclusion of electron correlation which furt her substantiates the claim of its use as a measure of basis set or de nsity quality.