Theoretical Study of the Radiative and Kinetic Properties of Selected Metal Oxides and Air Molecules
Abstract
A theoretical research program directed toward the study of the energetics and LWIR radiative properties of selected uranium/oxygen band systems has been undertaken. Included in this research program was the investigation of the strongest electronic and vibrational bands in the LWIR region for the species UO, UO(+), UO2, UO(++). The program for accomplishing this research effort was formulated into three separate tasks: a) adaption of our electronic structure codes to the DNA CYBER 176 System, b) calculation of pertinent electronic wavefunctions and energies, as a function of internuclear separation within a relativistic framework, for selected species of the uranium/oxygen system which may be important in the LWIR region, and c) calculation of electronic transition moments and transition probabilities between specific vibrational levels of the electronic states corresponding to the strongest radiating band systems belonging to the uranium/oxygen system and prediction of IR and possible optical oscillator strengths. Our calculations indicated that the species UO(+) will be efficiently solar pumped and will exhibit strong absorption/radiation. Further, we predict efficient conversion of solar photons to IR photons for this species.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 01, 1985
- Accession Number
- ADA166113
Entities
People
- H. H. Michels
- R. H. Hobbs
Organizations
- United Technologies Corporation