Relativistic semiempirical-core-potential calculations ofSr+using Laguerre and Slater spinors

Abstract

A relativistic description of the structure of heavy alkali-metal atoms and alkali-like ions using S-spinors and L-spinors is developed. The core wave function is defined by a Dirac-Fock calculation using an S-spinor basis. The S-spinor basis is then supplemented with a large set of L-spinors for calculation of the valence wave function in a frozen-core model. The numerical stability of the L-spinor approach is demonstrated by computing the energies and decay rates of several low-lying hydrogen eigenstates, along with the polarizabilities of a Z = 60 hydrogenic ion. The approach is then applied to calculate the dynamic polarizabilities of the 5s, 4d, and 5p states of Sr +. The magic wavelengths at which the Stark shifts between different pairs of transitions are 0 are computed. Determination of the magic wavelengths for the 5s → 4d 3

Tune-out and magic wavelengths, and electric quadrupole transition properties of the singly charged alkaline-earth metal ions

“…Relativistic all-order calculations by Safronova et al [30] and semi-empirical Hamiltonian calculations by Mitroy et al [16] provided quadrupole static polarizabilities values for the 4S 1/2 state of Ca + . Scalar components of the quadrupole polarizability for the 5S, 5P and 4D states of Sr + were reported by Jiang et al [31]. The RCC calculations by Sahoo et al [32], relativistic all-order method calculations by Iskrenova et al [26] and experimental measurements by Snow et al [27] are available for the 6S 1/2 ground state of Ba + .…”

ambit: A programme for high-precision relativistic atomic structure calculations

“…Alternatively, pure configuration interaction (without the introduction of MBPT) is a frequently used approach in atomic structure software packages and is able to treat few-electron systems. CI-only software packages include the RELCI package by S. Fritzsche et al [5] (also part of the GRASP package), the PATOM code of Bromley and co-workers [10]. Of these packages, PATOM is only capable of calculating the spectra of one-and two-valence electron atoms, while RELCI only supports restricted calculations for more than two valence electrons [5].…”

A pseudostate method for computing photon-atom scattering cross-sections

“…where A 0 and A (k) are constants (see reference [109] for more details). The Einstein coefficient is related to the decay rate Γ i and lifetime τ i by [109] 1 16) where the k = 1 dipole and k = 2 quadrupole contributions are included.…”