Ionization potentials and radii of atoms and ions of element 104 (unnilquadium) and of hafnium (2 +) derived from multiconfiguration Dirac-Fock calculations

Multiconfiguration relativistic Dirac–Fock (MCDF) values have been computed for the first four ionization potentials (IPs) of element 104 (unnilquadium) and of the other group 4 elements (Ti, Zr, and Hf). Factors were calculated that allowed correction of the systematic errors between the MCDF IPs a...

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Veröffentlicht in:	The Journal of chemical physics 1990-12, Vol.93 (11), p.8041-8050
Hauptverfasser:	JOHNSON, E, FRICKE, B, KELLER, O. L. JR, NESTOR, C. W. JR, TUCKER, T. C
Format:	Artikel
Sprache:	eng
Schlagworte:	640302 - Atomic, Molecular & Chemical Physics- Atomic & Molecular Properties & Theory ATOMIC AND MOLECULAR PHYSICS ATOMIC IONS ATOMIC RADII CHARGED PARTICLES CORRECTIONS DIFFERENTIAL EQUATIONS DIRAC EQUATION Electron correlation calculations for atoms and molecules ELECTRONIC STRUCTURE Electronic structure of atoms, molecules and their ions: theory ELEMENT 104 ELEMENTS EQUATIONS Exact sciences and technology HAFNIUM IONS IONIZATION POTENTIAL IONS PARTIAL DIFFERENTIAL EQUATIONS Physics RADIATIVE CORRECTIONS TITANIUM IONS TRANSPLUTONIUM ELEMENTS TRANSURANIUM ELEMENTS WAVE EQUATIONS ZIRCONIUM IONS
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