Study of analytic potential energy function and stability for PuOn+ with density functional theory

Citation
Q. Li et al., Study of analytic potential energy function and stability for PuOn+ with density functional theory, CHIN PHYS, 10(6), 2001, pp. 501-504
Citations number
17
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics
Journal title
CHINESE PHYSICS
ISSN journal
1009-1963 → ACNP
Volume
10
Issue
6
Year of publication
2001
Pages
501 - 504
Database
ISI
SICI code
1009-1963(200106)10:6<501:SOAPEF>2.0.ZU;2-I
Abstract
The theoretical study of PuOn+(n=1,2,3) using a density functional method s hows that PuO+(X(6)Sigma (-)) and PuO2+ (X(5)Sigma (-), (7)Sigma (-), (9)Si gma (-)) ions are stable and the PuO3+ ((4)Sigma (+), (6)Sigma (+)) ion is unstable. The analytic potential energy functions of (XC-)-C-6 for PuO+ and X(5)Sigma (-), (7)Sigma (-), (9)Sigma (-) for PuO2+ have been derived, and their force constants and spectroscopic data have been calculated.