Ground State Electron Configuration of Rutherfordium: Role of Dynamic Correlation

TitleGround State Electron Configuration of Rutherfordium: Role of Dynamic Correlation
Publication TypeJournal Article
Year of Publication1995
AuthorsEliav, Ephraim, Kaldor Uzi, and Ishikawa Yasuyuki
JournalPhysical Review Letters
Volume74
Issue7
Pagination1079 - 1082
Date Published2/1995
ISSN1079-7114
KeywordsAnalytical chemistry
URLhttp://link.aps.org/doi/10.1103/PhysRevLett.74.1079
DOI10.1103/PhysRevLett.74.1079
Short TitlePhys. Rev. Lett.
Citation KeyRf_ground_state
Full Text

The low-lying electronic states of Rf+ and Rf are investigated by the relativistic coupled cluster method based on the Dirac-Coulomb-Breit Hamiltonian. A large basis set (34s24p19d13f8g5h4i) of Gaussian-type orbitals is used. The external 36 electrons are correlated. In contrast with recent multiconfiguration Dirac-Fock (MCDF) results, the 7s26d2 3F2 state is found to be the ground state of the atom, lying about 0.30 eV below the 7s27p6d 3D2 state (the MCDF ground state). The dynamic correlation of the system, requiring virtual orbitals with l up to 6, is responsible for the reversal. The first ionization potential of the atom is predicted at 6.01 eV.

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