
TY  - JOUR
A1  - Dyall, KG 
T1  - Inclusion of Relativistic Effects in Electronic Structure Calculations
JF  - Australian Journal of Physics
JO  - Aust. J.  Phys.
Y1  - 1986
VL  - 39
IS  - 5
SP  - 667
EP  - 678
KW  - 
UR  - https://doi.org/10.1071/PH860667 
N2  - 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. 
ER  -

