Two-electron atomic systems confined within spheroidal boxes

Citation
A. Corella-madueno et al., Two-electron atomic systems confined within spheroidal boxes, INT J QUANT, 77(2), 2000, pp. 509-515
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
77
Issue
2
Year of publication
2000
Pages
509 - 515
Database
ISI
SICI code
0020-7608(20000315)77:2<509:TASCWS>2.0.ZU;2-E
Abstract
The direct variational method is used to estimate some interesting physical properties of the He atom and the Li+ ion confined within impenetrable sph eroidal boxes. A comparative investigation of the ground-state energy, pres sure, polarizability, dipole, and quadrupole moments with those of the He a tom inside boxes with paraboloidal walls is made. The overall results show a similar qualitative behavior. However, for Li+ there are quantitative dif ferences on such properties due to its major nuclear charge, as expected. T he trial wave function is constructed as a product of two hydrogenic wave f unctions adapted to the geometry of the confining boxes. (C) 2000 John Wile y & Sons, Inc.