Theoretical studies of atomic properties and chemical stabilities in acid solutions of element Uns (Z=117) and Astatine

Multi-configuration Dirac-Fock (MCDF) method was employed to calculate the first live ionization potentials, electron affinities, resonance excitation energies, oscillator strengths and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Brei...

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Bibliographic Details
Published inJournal of physics. Conference series Vol. 388; p. 1
Main Authors Chang, Z W, Li, J G, Dong, C Z
Format Journal Article
LanguageEnglish
Published 01.01.2012
Subjects
Atomic properties
Consistency
Correlation
Corrosion resistance
Extrapolation
Mathematical analysis
Oscillator strengths
Uncertainty
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Summary:Multi-configuration Dirac-Fock (MCDF) method was employed to calculate the first live ionization potentials, electron affinities, resonance excitation energies, oscillator strengths and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data were further used to predict the chemical stabilities of element Uus and At in acid solutions.
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ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/388/15/152030