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Ground state of rutherfordium - relativity vs. correlation

CCSD excitation energies, electron affinity and ionization potentials of element 111 (eV). [Pg.106]

The salient feature of the calculated transition energies is their monotonic behavior with the amount of correlation accounted for. The correlation of the 5/ electrons and the gradual inclusion of higher I spaces all [Pg.106]

This example shows the intricate interplay of relativity and correlation. It is well known that relativity stabilizes p vs. d orbitals, and correlation has the opposite effect. When both effects are important and the result not [Pg.107]


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