English

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

Atomic Physics 2018-01-17 v3

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 2D3/2,5/2^2D_{3/2,5/2} 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 alkali-like systems.

Keywords

Cite

@article{arxiv.1709.07672,
  title  = {Relativistic semiempirical-core-potential calculations in Ca$^+$, Sr$^+$, and Ba$^+$ ions on Lagrange meshes},
  author = {Livio Filippin and Sacha Schiffmann and Jérémy Dohet-Eraly and Daniel Baye and Michel Godefroid},
  journal= {arXiv preprint arXiv:1709.07672},
  year   = {2018}
}

Comments

15 pages, accepted for publication in Phys. Rev. A