Ground State Electron Configuration of Rutherfordium: Role of Dynamic Correlation

Ephraim Eliav, Uzi Kaldor, and Yasuyuki Ishikawa
Phys. Rev. Lett. 74, 1079 – Published 13 February 1995
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Abstract

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 7s26d2F23 state is found to be the ground state of the atom, lying about 0.30 eV below the 7s27p6dD23 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.

  • Received 11 October 1994

DOI:https://doi.org/10.1103/PhysRevLett.74.1079

©1995 American Physical Society

Authors & Affiliations

Ephraim Eliav and Uzi Kaldor

  • School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel

Yasuyuki Ishikawa

  • Department of Chemistry, University of Puerto Rico, P.O. Box 23346, San Juan, Puerto Rico 00931-3346

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Issue

Vol. 74, Iss. 7 — 13 February 1995

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