Ionization potentials and radii of neutral and ionized species of elements 107 (bohrium) and 108 (hassium) from extended multiconfiguration Dirac-Fock calculations
Abstract
Large multiconfiguration Dirac-Fock calculations were performed for all neutral and up to 7 and 8 times ionized species of elements 107 and 108, respectively, as well as all the homologous elements Mn, Tc, Re, Fe, Ru, and Os for a number of different total angular momenta. Comparison of the resulting ionization potentials to the known values of the homologues allow an extrapolation and thus a prediction of the chemically important seven or eight ionization potentials of elements 107 or 108 as well as a prediction of some ionic radii.
- Publication:
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Journal of Chemical Physics
- Pub Date:
- February 2002
- DOI:
- Bibcode:
- 2002JChPh.116.1862J
- Keywords:
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- 32.10.Hq;
- 31.15.Ne;
- 31.30.Jv;
- Ionization potentials electron affinities;
- Self-consistent-field methods;
- Relativistic and quantum electrodynamic effects in atoms and molecules