Combining configuration interaction with perturbation theory for atoms with a large number of valence electrons

V. A. Dzuba, J. C. Berengut, C. Harabati, and V. V. Flambaum
Phys. Rev. A 95, 012503 – Published 18 January 2017

Abstract

A version of the configuration interaction (CI) method is developed which treats highly excited many-electron basis states perturbatively, so that their inclusion does not affect the size of the CI matrix. This removes, at least in principle, the main limitation of the CI method in dealing with many-electron atoms or ions. We perform calculations of the spectra of iodine and its ions, tungsten, and ytterbium as examples of atoms with open s, p, d, and f shells. Good agreement of the calculated data with experiment illustrates the power of the method. Its advantages and limitations are discussed.

  • Figure
  • Received 1 November 2016

DOI:https://doi.org/10.1103/PhysRevA.95.012503

©2017 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

V. A. Dzuba, J. C. Berengut, C. Harabati, and V. V. Flambaum

  • School of Physics, University of New South Wales, Sydney 2052, Australia

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Issue

Vol. 95, Iss. 1 — January 2017

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