
%0 Journal Article
%A Dyall, KG 
%T Inclusion of Relativistic Effects in Electronic Structure Calculations
%J Australian Journal of Physics
%D 1986/10/01
%V 39
%N 5
%P 667-678
%K 
%R https://doi.org/10.1071/PH860667
%U https://www.publish.csiro.au/paper/PH860667 
%X The effects of relativity on atomic and molecular structure are discussed with an indication of their importance as a function of atomic number. Perturbation methods for the inclusion of relativistic effects are briefly analysed in terms of the Dirac equation; the multi-configuration Dirac-Fock method for the variational treatment of relativistic effects is then discussed in more detail. Finally, a case study on 2p ionisation in Ca is presented, in which higher-order relativistic effects are important. 
