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Relativistic calculations of quasi-one-electron atoms and ions using Laguerre and Slater spinors
A relativistic description of the structure of heavy alkali atoms and
alkali-like ions using S-spinors and L-spinors has been developed. The core
wavefunction is defined by a Dirac-Fock calculation using an S-spinors basis.
The S-spinor basis is then supplemented by a large set of L-spinors for the
calculation of the valence wavefunction 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 hydrogenic ion. The approach is then applied to
calculate the dynamic polarizabilities of the , and states of
Sr. The magic wavelengths at which the Stark shifts between different pairs
of transitions are zero are computed. Determination of the magic wavelengths
for the and transitions near
~nm (near the wavelength for the transitions) would allow a
determination of the oscillator strength ratio for the
and transitions.Comment: 2 figures, 23 page
Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom-atom interactions
Effective oscillator strength distributions are systematically generated and
tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth
ions, the rare gases and some miscellaneous atoms. These effective
distributions are used to compute the dipole, quadrupole and octupole static
polarizabilities, and are then applied to the calculation of the dynamic
polarizabilities at imaginary frequencies. These polarizabilities can be used
to determine the long-range , and atom-atom interactions
for the dimers formed from any of these atoms and ions, and we present tables
covering all of these combinations
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