Accession Number : ADA133836

Title :   Application of Quantum Chemistry to Atmospheric Chemistry.

Descriptive Note : Annual rept. 1 Oct 81-30 Sep 82,

Corporate Author : NATIONAL BUREAU OF STANDARDS WASHINGTON DC QUANTUM CHEMISTRY GROUP

Personal Author(s) : Krauss,M ; Stevens,W J

PDF Url : ADA133836

Report Date : 30 Sep 1982

Pagination or Media Count : 31

Abstract : Relativistic effective potentials have been used to calculate the electronic structure and spectroscopic properties of UO+. The excitation energies of the excited states of UO+ were calculated using a restricted valence configuration interaction. Strong radiative transitions are predicted in the red part of the visible. These transitions are predominately atomic-like f to d.

Descriptors :   *Quantum chemistry, *Uranium compounds, *Electronic states, *Spectroscopy, Atomic energy levels, Molecular orbitals, Excitation, Potential energy, Ions, Radiative transfer, Oxides

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE