SURVEY OF THE ELECTRONIC STRUCTURE AND SPECTRAL BEHAVIOR OF THE URANYL ION,
Abstract
The two main considerations of this report are to provide a coherent view of what is known about the uranyl ion, and to discern, if possible, the course of a fresh attack on the problem of its structure. The assumption is made that in order to interpret the uranyl spectra, the electronic structure and behavior in the fixed nuclear framework must first be known. Ways of finding this structure are presented, leading to the conclusion that, given the chemical evidence for strong covalent uranyl bonds, a molecular orbital treatment is required. By using a core approximation a one-configuration trial solution is set up in terms of fixed configurations on immobile cores and an antisymmetrized product of molecular orbital basis functions for the valence electrons. The practicability of a machine solution of the molecular orbital problem is being studied further. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 01, 1964
- Accession Number
- AD0436582
Entities
People
- J. B. Newman
Organizations
- Johns Hopkins University