High-accuracy coupled cluster calculations of atomic properties
The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm−1, the polarizabilities of elements 112-114 and 118, required...
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Hauptverfasser: | , , , |
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Format: | Tagungsbericht |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm−1, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues. |
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ISSN: | 0094-243X 1551-7616 |
DOI: | 10.1063/1.4906654 |