Relativistic wave and Green's functions for hydrogen-like ions

Published: 1 May 2003| Version 1 | DOI: 10.17632/3g52xh7x9k.1
Peter Koval, Stephan Fritzsche


Abstract The GREENS library is presented which provides a set of C++ procedures for the computation of the (radial) Coulomb wave and Green's functions. Both, the nonrelativistic as well as relativistic representations of these functions are supported by the library. However, while the wave functions are implemented for all, the bound and free-electron states, the Green's functions are provided only for bound-state energies (E < 0). Apart from the Coulomb functions, moreover, the implementation of seve... Title of program: GREENS Catalogue Id: ADRJ_v1_0 Nature of problem In order to describe and understand the behaviour of hydrogen-like ions, one often needs the Coulomb wave and Green's functions for the evaluation of matrix elements. But although these functions have been known analytically for a long time and within different representations [1,2], not so many implementations exist and allow for a simple access to these functions. In practice, moreover, the application of the Coulomb functions is sometimes hampered due to numerical instabilities. Versions of this program held in the CPC repository in Mendeley Data ADRJ_v1_0; GREENS; 10.1016/S0010-4655(02)00798-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Atomic Physics, Computational Physics