Accession Number : AD0436582


Title :   SURVEY OF THE ELECTRONIC STRUCTURE AND SPECTRAL BEHAVIOR OF THE URANYL ION,


Corporate Author : JOHNS HOPKINS UNIV BALTIMORE MD CARLYLE BARTON LAB


Personal Author(s) : Newman,J B


Report Date : Apr 1964


Pagination or Media Count : 104


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)


Descriptors :   URANYL RADICALS , STRUCTURES , URANYL RADICALS , MOLECULES , CONFIGURATIONS , ENERGY , FIELD THEORY


Distribution Statement : APPROVED FOR PUBLIC RELEASE