Theoretical Chemistry of the 7p series of superheavy elements. I. Atomic Structure studied by multi-configuration Dirac-Fock theory
- 19 May 1981
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 376 (1766) , 483-492
- https://doi.org/10.1098/rspa.1981.0103
Abstract
The multi-configuration Dirac-Fock method is used to estimate the ionization potentials of neutral atoms and ions of the 7p series of super-heavy elements of possible chemical interest. Predictions of the energies of excited states used to construct potentially important valence states are also reported. Electronic structures of these species are studied by partitioning the total energy into core and valence one-electron contributions.Keywords
This publication has 3 references indexed in Scilit:
- Studies in multiconfiguration Dirac-Fock theory. II. The even-parity low-lying spectrum of Ba IJournal of Physics B: Atomic and Molecular Physics, 1978
- Are elements 112, 114, and 118 relatively inert gases?The Journal of Chemical Physics, 1975
- Relativistic calculation of atomic structuresAdvances in Physics, 1970