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Relativistic atomic structure theory: Some recent work
Author(s) -
Grant I. P.
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560250104
Subject(s) - theory of relativity , physics , work (physics) , line (geometry) , relativistic quantum chemistry , spectral line , diagram , theoretical physics , atomic physics , ion , emission spectrum , atomic theory , computational physics , quantum mechanics , mathematics , statistics , geometry , electron
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 3 S −2 3 P 0,1,2 intervals in heliumlike ions, whose theoretical estimation is important for testing QED. The study of satellite structure in the K β 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.