A configuration interaction model to investigate many-electron systems in cavities

Citation
R. Rivelino et Jdm. Vianna, A configuration interaction model to investigate many-electron systems in cavities, J PHYS B, 34(19), 2001, pp. L645-L650
Citations number
16
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
34
Issue
19
Year of publication
2001
Pages
L645 - L650
Database
ISI
SICI code
0953-4075(20011014)34:19<L645:ACIMTI>2.0.ZU;2-W
Abstract
A configuration interaction (CI) model to treat confined many-electron syst ems is presented. Our model proposes a spatially confined linear combinatio n of configuration interaction (LCCI) functions, built from basis functions that do not satisfy confinement boundary conditions. As an application we have calculated total energies for the He ground state, assuming that the a tom is enclosed within a spherical cavity with infinite potential walls. Co mparisons with other results in the literature are made in order to verify our model.