Computational support

As part of the DESIREE infrastructure, we offer computational support of ionic electron structures and radiative properties in connection to the experiments. This can be preparatory calculations to investigate the feasibility of experiments or guided calculations to estimate the range of experimental results as well as calculations complementing the experiment. 

For calculations of ionic electronic structure and radiative properties, we use multiconfigurational codes GRASP2k and ATSP2k for relativistic and non-relativistic calculations, respectively. These are large scale codes designed for ab initio calculations of the electronic structure of atoms and ions, and for computation of energy levels, wavelengths, transition rates and radiative lifetimes of excited states. The codes are primarily used for positive ions, but are successfully applied to negative ions.

The documentation can be found in the publications:

C. Froese Fischer, G. Tachiev, G. Gaigalas and M. Godefroid, Comput. Phys. Commun., 176 559 (2007).

P. Jönsson, G. Gaigalas, J. Bieron, C, Froese Fischer and I.P. Grant, Comput. Phys. Commun., 184 2197 (2013).  

For inquires please contact desiree@mau.se.