VARIATIONAL CALCULATIONS FOR ENCLOSED QUANTUM-SYSTEMS WITHIN SOFT SPHEROIDAL BOXES - THE CASE OF H, H-2(+) HEH2+

Authors
MARIN JL MUNOZ G
Citation
Jl. Marin et G. Munoz, VARIATIONAL CALCULATIONS FOR ENCLOSED QUANTUM-SYSTEMS WITHIN SOFT SPHEROIDAL BOXES - THE CASE OF H, H-2(+) HEH2+, Journal of molecular structure. Theochem, 106, 1993, pp. 281-285
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
106
Year of publication
1993
Pages
281 - 285
Database
ISI
SICI code
0166-1280(1993)106:<281:VCFEQW>2.0.ZU;2-0
Abstract
The direct variational method is used to study some physical propertie s of H, H-2(+) and HeH2+ enclosed within soft spheroidal boxes. The gr ound state energy, polarizability, and pressure are calculated for the se systems as a function of the size and penetrability of the boxes. T he results show good agreement when compared with more sophisticated c alculations.