A perturbation theory approach to relativistic calculations
- 1 December 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 36 (6) , 1789-1804
- https://doi.org/10.1080/00268977800102771
Abstract
In this paper a perturbative procedure for the calculation of relativistic effects is proposed, that consistently treats all first-order terms, including relativistic changes of the electronic potential. The results of test calculations on some fifth row elements are compared with full relativistic Dirac-Fock-Slater treatments of the same systems. Both orbital energies and the first order changes in the wave functions are calculated.Keywords
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