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

par Filippin, Livio ;Schiffmann, Sacha ;Dohet-Eraly, Jérémy ;Baye, Daniel Jean ;Godefroid, Michel
Référence Physical Review A, 97, 012506
Publication Publié, 2018

Article révisé par les pairs

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Résumé :

Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempiricalcore-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. Thecore orbitals are defined by a Dirac-Hartree-Fock calculation using the GRASP2K package. The valence electronis described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valenceelectron correlation. The associated equation is solved with the Lagrange-mesh method, which is an approximatevariational approach having the form of a mesh calculation because of the use of a Gauss quadrature to calculatematrix elements. Properties involving the low-lying metastable 2D3/2,5/2 states of Ca+, Sr+, and Ba+ are studied,such as polarizabilities, one- and two-photon decay rates, and lifetimes. Good agreement is found with othertheory and observation, which is promising for further applications in alkalilike systems.