Relativistic semiempirical-core-potential calculations in Ca+,Sr+, and Ba+ ions on Lagrange meshes

Livio Filippin, Sacha Schiffmann, Jérémy Dohet-Eraly, Daniel Baye, and Michel Godefroid
Phys. Rev. A 97, 012506 – Published 12 January 2018

Abstract

Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock calculation using the grasp2k package. The valence electron is described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valence electron correlation. The associated equation is solved with the Lagrange-mesh method, which is an approximate variational approach having the form of a mesh calculation because of the use of a Gauss quadrature to calculate matrix elements. Properties involving the low-lying metastable D3/2,5/22 states of Ca+, Sr+, and Ba+ are studied, such as polarizabilities, one- and two-photon decay rates, and lifetimes. Good agreement is found with other theory and observation, which is promising for further applications in alkalilike systems.

  • Received 22 September 2017

DOI:https://doi.org/10.1103/PhysRevA.97.012506

©2018 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Livio Filippin1,*, Sacha Schiffmann1,†, Jérémy Dohet-Eraly2,‡, Daniel Baye3,§, and Michel Godefroid1,∥

  • 1Chimie Quantique et Photophysique, C.P. 160/09, Université Libre de Bruxelles (ULB), B-1050 Brussels, Belgium
  • 2Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, I-56127 Pisa, Italy
  • 3Physique Quantique and Physique Nucléaire Théorique et Physique Mathématique, C.P. 229, Université Libre de Bruxelles (ULB), B-1050 Brussels, Belgium

  • *Livio.Filippin@ulb.ac.be
  • Sacha.Schiffmann@ulb.ac.be
  • dohet@pi.infn.it
  • §dbaye@ulb.ac.be
  • mrgodef@ulb.ac.be

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Issue

Vol. 97, Iss. 1 — January 2018

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