Volume 25, Issue 1 pp. 23-46
Article
Full Access

Relativistic atomic structure theory: Some recent work

I. P. Grant

I. P. Grant

Department of Theoretical Chemistry, 1 South Parks Road, Oxford, OX1 3TG, United Kingdom

Search for more papers by this author
First published: January 1984
Citations: 77

Presented at the symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21–23, 1982.

Abstract

Recent developments in relativistic atomic structure have been more in terms of program improvement than in fundamental theory. Some comments on both aspects of this work are illustrated by a description of two different recent applications. In the first, we study the contribution of the interaction of relativity and correlation to the 2 3S−2 3P0,1,2 intervals in heliumlike ions, whose theoretical estimation is important for testing QED. The study of satellite structure in the Kβ x-ray emission spectrum of Ar illustrates a quite different use of the program packages developed at Oxford for investigating configuration interaction. The use of shake theory to predict the initial states, populated along with the primary vacancy giving rise to the diagram line, gives a satellite line intensity distribution which agrees very well with recent experimental spectra.

The full text of this article hosted at iucr.org is unavailable due to technical difficulties.