422 research outputs found
A New Approach To Relativistic Gaussian Basis Functions: Theory And Applications
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan
equations where the one- and two-electron radial integrals are evaluated
numerically by defining the basis functions on a grid. This procedure reduces
the computational costs in the evaluation of two-electron radial integrals. The
orbitals generated by this method are employed to compute the ionization
potentials, excitation energies and oscillator strengths of alkali-metal atoms
and elements of group IIIA through second order many-body perturbation theor
and other correlated theories.Comment: RevTex (15 pages) one figur
Comparative studies of the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of ^{25}Mg^{+}
We have employed the relativistic coupled cluster theory to calculate the
magnetic dipole and electric quadrupole hyperfine constants for the ground and
low lying excited states of singly ionized magnesium. Comparison with
experimental and the other theoretical results are done and predictions are
also made for a few low lying excited states which could be of interest. We
have made comparative studies of the important many body effects contributing
to the hyperfine constants for the different states of the ion.Comment: 3 figures, Late
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