Chemistry Nexus

by WebElements: the periodic table on the web

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.1

References

1. Eliav, Ephraim, Uzi Kaldor, and Yasuyuki Ishikawa, “Ground State Electron Configuration of Rutherfordium: Role of Dynamic Correlation“, Phys. Rev. Lett., 1995, 74, 1079. http://dx.doi.org/10.1103/PhysRevLett.74.1079.

December 24th, 2009

Posted In: Chemistry

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