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Relativistic central--field Green's functions for the RATIP package
From perturbation theory, Green's functions are known for providing a simple
and convenient access to the (complete) spectrum of atoms and ions. Having
these functions available, they may help carry out perturbation expansions to
any order beyond the first one. For most realistic potentials, however, the
Green's functions need to be calculated numerically since an analytic form is
known only for free electrons or for their motion in a pure Coulomb field.
Therefore, in order to facilitate the use of Green's functions also for atoms
and ions other than the hydrogen--like ions, here we provide an extension to
the Ratip program which supports the computation of relativistic
(one--electron) Green's functions in an -- arbitrarily given -- central--field
potential \rV(r). Different computational modes have been implemented to
define these effective potentials and to generate the radial Green's functions
for all bound--state energies . In addition, care has been taken to
provide a user--friendly component of the Ratip package by utilizing features
of the Fortran 90/95 standard such as data structures, allocatable arrays, or a
module--oriented design.Comment: 20 pages, 1 figur