Calculations of the electronic structure and transitions of actinide metal hexafluorides

Journal Article · Sat Jul 01 04:00:00 EDT 1978 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.436394· OSTI ID:6878561

Boring, M; Hecht, H G

SCF-X..cap alpha..-SW calculations are reported for the actinide metal hexafluorides UF/sub 6/, NpF/sub 6/, and PuF/sub 6/. Eigenvalues and charge densities analyzed according to angular momentum contributions within atomic spheres are given for the ground states, and several transitions have been calculated using the electronic transition state concept.

• Research Organization: University of California, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 6878561
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 69:1; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACTINIDE COMPOUNDS
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
NEPTUNIUM COMPOUNDS
NEPTUNIUM FLUORIDES
PLUTONIUM COMPOUNDS
PLUTONIUM FLUORIDES
TRANSURANIUM COMPOUNDS
URANIUM COMPOUNDS
URANIUM FLUORIDES
URANIUM HEXAFLUORIDE