BOUNDARY-CONDITION-DETERMINED WAVE-FUNCTION FOR THE GROUND-STATE OF HELIUM AND ISOELECTRONIC IONS

Citation
U. Kleinekathofer et al., BOUNDARY-CONDITION-DETERMINED WAVE-FUNCTION FOR THE GROUND-STATE OF HELIUM AND ISOELECTRONIC IONS, Physical review. A, 54(4), 1996, pp. 2840-2849
Citations number
53
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
54
Issue
4
Year of publication
1996
Pages
2840 - 2849
Database
ISI
SICI code
1050-2947(1996)54:4<2840:BWFTGO>2.0.ZU;2-1
Abstract
A simple nonvariational wave function for two electron atoms is descri bed. The radial part is derived from the asymptotic one-electron wave functions that are modified to account for the proper core boundary co nditions. The electron-electron correlation is described by an ansatz which has the correct behavior for r(12)-->0 and r(12)-->infinity. The additional parameter in this ansatz is calculated from a perturbation calculation. This wave function yields ground-state energies for the heliumlike atoms with Z=1 (H-) to 10 (Ne8+) within 0.0021-0.0068E(h) o f the exact energies, which is significantly better than obtained with previous models. We also calculated [r(2n)] and multipolar polarizabi lities and performed other tests on this wave function.